A0A5K4EZU7_SCHMA Loading...

Transcriptional repressor NF-X1

AlphaFold DB , UniProt , Accession A0A5K4EZU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,104 aa.

						>A0A5K4EZU7_SCHMA|A0A5K4EZU7
MYLDARSNPRLSRGNRYIRQANGTTHRASSRSATSVHTYRCPSSVADNFNSGSGHRNHYRPCDRLCYPYRRNNPSMTVSGFLGPPSRNFDHRRGSPYSGHEFDGHQIIRTLSTSESSTNPNYSVESTYLVQTGSSESDTSLSFQQRPKTTLKVNCEPKNHDNLRSNLIDGLRNSTYQCMICISEIRVTDPIWSCATCYHIYHLSCIRSWAKKSFQEHNIESDSSPVWRCPSCQTTYDLSPQLISYRCFCGRIKNPEFHPARMTIPHGCDQVCNKVKRITSESSLSDYQCTHLCTELCHPGPCPPCLATITLSCPCGKSQRSATCGDPNLQPCGQICKRQLSFNCATGFHTCLSTCHYGSCNPCQWIIETACFCGQDNNVKLICGSNEIRKCTFSTKDLQTLRTAFVEFQSKMTSNDYSDILKLQQISITDDLSLCVSDDLNNSLSSQLSEHNSDNTDSTKIVEYNNEQITSSNLLLVKIGPSFSCNRVCDRQLSCKNHKCSNFCHSGECPPCALDPAWCLTCPCGKTPLTKLVSTGCLYGNRQSCTDPLPTCPNICGRPRPLCGHTCSEYCHTGPCPPCELSISLKCRCGQSSKVITCQEFSKLSDKEGVPELCCQRICKKKLICGRHKCKTLCCNDTMHSCPEICGRRLSCQLHYCEEQCHSGPCNSCWRGVIYSELVCRCGNTILHPPQPCGSSAPECNQPCSLTHNCDHPVKHTCHMEPKCPPCTVIMDKVCPGGHGVQFKVPCFQEVRSCGRICNKPLPGCSHLCQRKCHSGPCLDLASSDEECNTVCIQPCQKPRPGCGHPCGLPCHEVRNQSCLEAFVNHGLESQLICTALVDVVCRCGKLKQSQQCHQVYAKQYLLLEHERNVSGASLTDIHPLFTEHDSQKPIPLLACDNSCTSSTESHTNSQYANTSTWKRGFTNSSDAELPNSDGDECPFDPPEYPDHLKQFALRNFTFVENTEEQLRSMIMQFLKSNIEPTDPNNPKEYPRVLTHRFPPMNKRKRRFIHDIVEYYGMEACTCDPGPNCHVMIIARRGYSKLPAGSMSNRGSLTNVLKRECPGVVKPSNEQPKLLKDPKTDCNVLPASNISTLSYAQILRGKLT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	37.2	Very low	182 Å²	182	152.4 Å²	152.4	90%	0.897	77%	0.77	S	S	*	*				0	145.1	0	-64.9	172.4	69.7	0	0	106.8
2	Y	36.3	Very low	37.2	Very low	203 Å²	203	147.9 Å²	147.9	80%	0.796	76%	0.763	S	S	*	*			trans	62.9	130.5	-171.9	-62.7	-93.5	0	0	0	112.7
3	L	37.1	Very low	37.3	Very low	137 Å²	137	153.8 Å²	153.8	72%	0.717	77%	0.77	S	S	*	*			cis	79.7	104.8	47.1	-67.4	167.5	0	0	0	113
4	D	36.8	Very low	37.5	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	75%	0.75	S	S	*	*			trans	18.8	128.2	143.2	-49	-50.1	0	0	0	120.2
5	A	40.1	Very low	37.6	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	75%	0.75	S	S	*	*				175.1	138	103.8	0	0	0	0	0	115.6
6	R	37.3	Very low	37.9	Very low	235 Å²	235	149.8 Å²	149.8	89%	0.887	75%	0.752	S	S	*	*			trans	58.7	122.5	137.1	-62.6	172.5	-178.2	178.6	-0.1	122.8
7	S	38.9	Very low	37.9	Very low	110 Å²	110	152.6 Å²	152.6	77%	0.769	75%	0.754	S	S	*	*			trans	62.5	119.8	136.5	57.1	0	0	0	0	124.3
8	N	33.5	Very low	37.9	Very low	152 Å²	152	151.2 Å²	151.2	81%	0.813	75%	0.748	S	S	*	*				13.9	156.6	120.9	-98.3	-24.2	0	0	0	121.1
9	P	38.3	Very low	37.9	Very low	106 Å²	106	153.9 Å²	153.9	69%	0.688	75%	0.749	S	S	*	*			cis	-144.4	168.4	6.5	40.8	-20.7	0	0	0	119.5
10	R	36.2	Very low	38.1	Very low	174 Å²	174	154.4 Å²	154.4	66%	0.657	75%	0.75	S	S	*	*			trans	47.1	134.7	141.2	-73.7	-171.8	-177.5	-142.6	-0.5	125.6	Y128	R10-Y128 PolarHBondContact NH1-OH 3.42Å; R10-Y128 VanDerWaalsContact NH2-CZ 3.32Å; R10-Y128 PolarHBondContact NH2-OH 3.11Å; R10-Y128 VanDerWaalsContact NH2-OH 3.07Å
11	L	37.9	Very low	38.2	Very low	146 Å²	146	151.3 Å²	151.3	76%	0.764	75%	0.749	S	S	*	*			trans	100.4	110.2	136.3	-75.9	160.6	0	0	0	124.4
12	S	37.2	Very low	38.3	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	75%	0.748	S	S	*	*				84.6	137.4	128.4	-72.2	0	0	0	0	126.2
13	R	37.7	Very low	38.3	Very low	225 Å²	225	143.1 Å²	143.1	85%	0.849	73%	0.734	S	S	*	*			trans	66	162.1	170	-63	177.5	177.3	175	-0.5	114.9
14	G	40.1	Very low	38.5	Very low	48 Å²	48	143.3 Å²	143.3	50%	0.495	74%	0.741	S	S	.	*			cis	-141	-156.9	3.8	0	0	0	0	0	113.9	P120 N121	G14-P120 WeakPolarHBondContact O-CD 3.47Å; G14-N121 VanDerWaalsContact C-ND2 3.33Å; G14-N121 PolarHBondContact O-ND2 2.94Å
15	N	39.5	Very low	38.7	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	74%	0.736	S	S	*	*			trans	-120.7	154.4	-151.1	-169.5	4	0	0	0	115.8
16	R	41.9	Very low	38.7	Very low	210 Å²	210	145.5 Å²	145.5	79%	0.792	74%	0.74	S	S	*	*			trans	100.3	121.5	156.8	-56.3	-173.4	-175.2	174	2.7	122.5
17	Y	38.6	Very low	38.6	Very low	198 Å²	198	145.1 Å²	145.1	78%	0.776	74%	0.738	S	S	*	*				75.4	116.3	128.3	-83.9	-119.6	0	0	0	124.8
18	I	37.9	Very low	38.4	Very low	127 Å²	127	143.9 Å²	143.9	65%	0.651	74%	0.735	S	S	*	*				59.7	127.9	123.1	-64.1	-170.2	0	0	0	118.5
19	R	38	Very low	38.4	Very low	204 Å²	204	141.5 Å²	141.5	77%	0.77	73%	0.731	S	S	*	*				-167.9	152.3	59.3	-151.3	168.9	-109.1	-131.4	4.1	114.8
20	Q	40.9	Very low	38.4	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	72%	0.718	S	S	*	*			trans	19.2	144.9	147.9	-64.9	160.7	-21.8	0	0	120.8
21	A	40.4	Very low	38.4	Very low	89 Å²	89	138 Å²	138	74%	0.736	71%	0.713	S	S	*	*			cis	-157.7	-164.8	-0.3	0	0	0	0	0	108
22	N	40.1	Very low	38.2	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	70%	0.698	S	S	*	*			cis	-160	173.2	-6.2	-134.3	0.2	0	0	0	106.9
23	G	36.9	Very low	38.1	Very low	49 Å²	49	131.4 Å²	131.4	51%	0.505	68%	0.682	S	S	.	*			cis	160.4	131.9	-9.6	0	0	0	0	0	113.2
24	T	41.1	Very low	38	Very low	141 Å²	141	127.2 Å²	127.2	87%	0.865	68%	0.682	S	S	*	*			trans	72.7	145.2	166.7	74.7	0	0	0	0	117.7
25	T	40.3	Very low	37.7	Very low	111 Å²	111	129.5 Å²	129.5	68%	0.681	69%	0.69	S	S	*	*			cis	-148.5	149.2	27.3	45	0	0	0	0	116.3
26	H	39.3	Very low	37.5	Very low	167 Å²	167	128 Å²	128	77%	0.773	69%	0.686	S	S	*	*			trans	47.5	135.7	155.1	-59.4	-67.8	0	0	0	122.5
27	R	35.3	Very low	37	Very low	226 Å²	226	126.1 Å²	126.1	85%	0.853	69%	0.685	S	S	*	*			cis	101.2	100.4	21.9	-166	-179.6	-162.7	-173.8	5.2	112.9
28	A	35.9	Very low	36.6	Very low	85 Å²	85	121.6 Å²	121.6	70%	0.702	68%	0.678	S	S	*	*				72	151.1	80.9	0	0	0	0	0	115.3
29	S	33.8	Very low	36.5	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	68%	0.683	S	S	*	*			cis	-176.7	145.1	-16.9	-90.3	0	0	0	0	113.4
30	S	36.9	Very low	36	Very low	62 Å²	62	125.6 Å²	125.6	43%	0.434	69%	0.687	S	S	.	*			trans	70.4	148.5	140.2	77.1	0	0	0	0	125	E216 I219	S30-E216 WeakPolarHBondContact CA-O 3.48Å; S30-I219 VanDerWaalsContact O-CD1 3.3Å; S30-I219 WeakPolarHBondContact O-CD1 3.15Å
31	R	35.9	Very low	35.4	Very low	143 Å²	143	123 Å²	123	54%	0.54	69%	0.686	S	S	.	*			trans	82.9	144.3	152.3	-68.5	161.4	177.2	-149.4	-0.9	120.3	Q215 E216 I219	R31-Q215 VanDerWaalsContact CA-O 3.26Å; R31-Q215 WeakPolarHBondContact CA-O 3.47Å; R31-Q215 WeakPolarHBondContact CG-O 3.28Å; R31-E216 IonicContact CZ-OE1 3.49Å; R31-E216 PolarHBondContact N-O 3.39Å; R31-E216 IonicContact NE-OE1 3.29Å; R31-E216 IonicContact NH2-OE1 3.49Å; R31-E216 PolarHBondContact NH2-OE1 3.33Å; R31-I219 VanDerWaalsContact O-CD1 3.3Å; R31-I219 WeakPolarHBondContact O-CD1 3.43Å; R31-I219 WeakPolarHBondContact O-CG1 3.34Å
32	S	34.9	Very low	35.1	Very low	66 Å²	66	124.2 Å²	124.2	46%	0.462	69%	0.686	S	S	.	*			cis	-170.1	150.4	1.9	-109.4	0	0	0	0	115.1	Q215	S32-Q215 WeakPolarHBondContact CA-O 3.39Å; S32-Q215 PolarHBondContact OG-O 3.47Å
33	A	35.3	Very low	34.6	Very low	42 Å²	42	121.2 Å²	121.2	35%	0.347	68%	0.678	S	S	.	*			trans	68.1	144.8	134.1	0	0	0	0	0	125.4	Q215	A33-Q215 HydrophobicContact CB-CG 4.1Å
34	T	35.5	Very low	34.2	Very low	137 Å²	137	124 Å²	124	84%	0.84	69%	0.689	S	S	*	*			trans	69.6	158	148.4	39.9	0	0	0	0	118.2
35	S	34.3	Very low	33.8	Very low	95 Å²	95	123.3 Å²	123.3	66%	0.664	68%	0.684	S	S	*	*			cis	-160.9	134.6	3.5	127	0	0	0	0	113.7
36	V	33.3	Very low	33.3	Very low	108 Å²	108	121.5 Å²	121.5	66%	0.655	68%	0.681	S	S	*	*				72.5	135.3	129.8	-179.7	0	0	0	0	122.9
37	H	33.2	Very low	32.8	Very low	169 Å²	169	120.3 Å²	120.3	78%	0.782	68%	0.68	S	S	*	*			trans	63.9	162.1	156.8	-71	-18.5	0	0	0	119.2
38	T	28.6	Very low	32.6	Very low	103 Å²	103	115.9 Å²	115.9	63%	0.632	67%	0.673	S	S	*	*			cis	-149.1	-174.4	-2.5	-4.5	0	0	0	0	112.2
39	Y	36.1	Very low	32.3	Very low	194 Å²	194	120.4 Å²	120.4	76%	0.761	68%	0.678	S	S	*	*			trans	79	123.3	172.4	-57	-83.8	0	0	0	115.3
40	R	27.7	Very low	32	Very low	222 Å²	222	122.5 Å²	122.5	84%	0.838	68%	0.681	S	S	*	*			cis	76.9	139.7	47.5	-71.2	-167.9	171.2	-169	-0.6	112.3
41	C	27.5	Very low	31.7	Very low	109 Å²	109	125.3 Å²	125.3	74%	0.736	70%	0.701	S	S	*	*			cis	-151.2	-179.2	1.5	-117.1	0	0	0	0	111.8
42	P	34.5	Very low	31.3	Very low	114 Å²	114	122.5 Å²	122.5	74%	0.74	72%	0.716	S	S	*	*			trans	-113.6	-122.3	-163.5	43.8	-34.2	0	0	0	115.2
43	S	30.1	Very low	31.1	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	74%	0.737	S	S	*	*			trans	89.3	125.2	-174.3	-51.4	0	0	0	0	114.3
44	S	28.4	Very low	31	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	76%	0.76	S	S	*	*			cis	67.5	132.7	49.9	76	0	0	0	0	112.3
45	V	32.5	Very low	30.9	Very low	126 Å²	126	128.7 Å²	128.7	76%	0.764	76%	0.756	S	S	*	*				-146.9	141.1	51.8	170.6	0	0	0	0	109.1
46	A	29.6	Very low	30.7	Very low	73 Å²	73	134.1 Å²	134.1	60%	0.603	76%	0.762	S	S	*	*				46.2	143.3	100.5	0	0	0	0	0	116
47	D	28.8	Very low	30.7	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	77%	0.766	S	S	*	*			cis	-154.1	169.7	7	-93.9	-46	0	0	0	112.2
48	N	31.7	Very low	30.6	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	77%	0.766	S	S	*	*			trans	51.1	124.7	148.2	-79.9	-30.5	0	0	0	124.7
49	F	30	Very low	30.7	Very low	181 Å²	181	141.8 Å²	141.8	79%	0.794	78%	0.78	S	S	*	*			trans	61	114.1	146.1	-73.1	-80.3	0	0	0	124.3
50	N	27.7	Very low	30.3	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	79%	0.786	S	S	*	*			trans	71.4	136.6	138.2	-92.2	-6.8	0	0	0	124.4
51	S	29.5	Very low	30.5	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	78%	0.782	S	S	*	*			trans	72.7	138	153.3	-59.4	0	0	0	0	120.4
52	G	27.2	Very low	30.5	Very low	83 Å²	83	139.9 Å²	139.9	86%	0.856	79%	0.79	S	S	*	*			trans	131	127.2	158.3	0	0	0	0	0	116.8
53	S	31.8	Very low	30.5	Very low	131 Å²	131	140.5 Å²	140.5	92%	0.916	79%	0.787	S	S	*	*			trans	-85.1	150.6	176.1	44.8	0	0	0	0	113.5
54	G	32.4	Very low	30.6	Very low	81 Å²	81	145.9 Å²	145.9	84%	0.835	79%	0.792	S	S	*	*			trans	-159.8	163.6	178.8	0	0	0	0	0	114.1
55	H	33.9	Very low	30.6	Very low	163 Å²	163	148 Å²	148	76%	0.755	79%	0.794	S	S	*	*			trans	-125.1	141.1	-161.1	-110.5	-49.7	0	0	0	115.9
56	R	30.6	Very low	30.5	Very low	209 Å²	209	148.2 Å²	148.2	79%	0.789	80%	0.8	S	S	*	*			trans	67.7	165.9	152.4	-68.7	175	179	165.9	1.2	115.7
57	N	32.6	Very low	30.5	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	81%	0.809	S	S	*	*			cis	-146.7	177.9	14.9	-142.3	-7.7	0	0	0	114.5
58	H	30.7	Very low	31	Very low	167 Å²	167	152 Å²	152	77%	0.773	80%	0.801	S	S	*	*			trans	-74.4	159.8	-178.2	-62.8	-100.1	0	0	0	115.5
59	Y	32.1	Very low	31	Very low	236 Å²	236	154.4 Å²	154.4	93%	0.925	80%	0.801	S	S	*	*			trans	-153.1	140.1	138.8	-114.6	-78.8	0	0	0	113
60	R	27.2	Very low	31.1	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	80%	0.795	S	S	*	*			trans	-153.4	127	170.1	-155.5	-173.4	-158.8	-152.1	8	108.1
61	P	32.9	Very low	31.3	Very low	117 Å²	117	157.4 Å²	157.4	76%	0.76	80%	0.796	S	S	*	*			trans	-81.5	141.6	-168.8	-13.9	30.2	0	0	0	114.5
62	C	26.5	Very low	31.7	Very low	133 Å²	133	157.4 Å²	157.4	90%	0.899	79%	0.787	S	S	*	*			trans	-148.4	114.9	162.3	-75.7	0	0	0	0	109.5
63	D	35.3	Very low	31.9	Very low	127 Å²	127	160.2 Å²	160.2	68%	0.679	78%	0.782	S	S	*	*			trans	-101.6	150.6	163.1	-70.8	-84.5	0	0	0	108.8
64	R	31.6	Very low	32.4	Very low	215 Å²	215	159.1 Å²	159.1	81%	0.811	77%	0.772	S	S	*	*			cis	-156.4	150.6	-12.8	-113.5	171.2	-159.1	-145.7	1.5	107.5
65	L	28.1	Very low	32.6	Very low	152 Å²	152	159.5 Å²	159.5	80%	0.796	76%	0.762	S	S	*	*			trans	-127.9	151	166	-79.5	175.3	0	0	0	109.8
66	C	31.3	Very low	32.6	Very low	130 Å²	130	159.7 Å²	159.7	88%	0.878	77%	0.765	S	S	*	*			trans	-128.6	121.7	166.1	-74	0	0	0	0	109.5
67	Y	28.3	Very low	32.9	Very low	205 Å²	205	155.8 Å²	155.8	80%	0.804	77%	0.765	S	S	*	*			trans	-104.9	-152.3	176.9	-101.8	-74.4	0	0	0	107.1
68	P	39.6	Very low	33.1	Very low	91 Å²	91	155.5 Å²	155.5	59%	0.591	77%	0.767	S	S	*	*			cis	-138.1	-169.6	-6.4	17.3	11.7	0	0	0	116.6
69	Y	31.4	Very low	33.4	Very low	181 Å²	181	153.2 Å²	153.2	71%	0.71	77%	0.771	S	S	*	*			trans	90	144.2	148.7	-74.2	-50.9	0	0	0	120.8
70	R	31.6	Very low	33.4	Very low	177 Å²	177	145.2 Å²	145.2	67%	0.668	76%	0.76	S	S	*	*			cis	-160.8	154.8	-13.5	-155.4	-179	-64.5	-146.5	2.4	106.3
71	R	33.8	Very low	33.7	Very low	212 Å²	212	144.3 Å²	144.3	80%	0.8	76%	0.763	S	S	*	*				-170.9	-180	56.3	-75.8	-177.6	-174.1	-112.8	6.7	106.8
72	N	36.2	Very low	33.8	Very low	123 Å²	123	146.8 Å²	146.8	66%	0.658	77%	0.769	S	S	*	*			cis	-169.3	164	-16.9	-103.6	30	0	0	0	106
73	N	32.9	Very low	34.2	Very low	141 Å²	141	144 Å²	144	75%	0.754	76%	0.763	S	S	*	*			cis	-150.3	-97	-24.4	-176.3	34.7	0	0	0	112.1
74	P	41.4	Very low	34.1	Very low	109 Å²	109	143.9 Å²	143.9	71%	0.708	77%	0.769	S	S	*	*			trans	-123.7	-159	-171.3	47.9	-28.7	0	0	0	112.8
75	S	35.9	Very low	34.1	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	77%	0.768	S	S	*	*			cis	-154.4	144.9	2	50.9	0	0	0	0	110.9
76	M	35.7	Very low	34.2	Very low	168 Å²	168	138 Å²	138	83%	0.828	77%	0.771	S	S	*	*				-170.9	169.7	90.6	-93.1	-70.8	143.7	0	0	111.1
77	T	36.7	Very low	34.2	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	77%	0.773	S	S	*	*			trans	-91.5	-178.9	-171.3	45.3	0	0	0	0	113
78	V	35.6	Very low	34.2	Very low	131 Å²	131	140.9 Å²	140.9	79%	0.794	77%	0.772	S	S	*	*			cis	-146.3	167.8	28.2	-175.6	0	0	0	0	112.4
79	S	37.2	Very low	33.8	Very low	120 Å²	120	146.2 Å²	146.2	84%	0.839	79%	0.787	S	S	*	*			trans	-58.4	163.6	176.6	-46.3	0	0	0	0	116.8
80	G	32.1	Very low	33.8	Very low	68 Å²	68	142.1 Å²	142.1	70%	0.701	78%	0.777	S	S	*	*			cis	169.8	167	-5	0	0	0	0	0	114.3
81	F	33.9	Very low	33.9	Very low	216 Å²	216	138 Å²	138	95%	0.947	77%	0.765	S	S	*	*			trans	-147.4	173.3	-179.5	-123	-94.8	0	0	0	112.2
82	L	35.9	Very low	33.7	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	76%	0.756	S	S	*	*			trans	-89.7	150.1	-168.5	-67.2	158.6	0	0	0	115.4
83	G	33.3	Very low	33.3	Very low	75 Å²	75	140.6 Å²	140.6	77%	0.773	77%	0.766	S	S	*	*			trans	113.7	118	149.6	0	0	0	0	0	118.6
84	P	34.2	Very low	33.1	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	77%	0.767	S	S	*	*			trans	-112.5	-173.8	172.7	46.7	-36.8	0	0	0	111.4
85	P	31.1	Very low	32.7	Very low	124 Å²	124	138 Å²	138	81%	0.805	77%	0.773	S	S	*	*				-129.9	145.4	-95.7	32.4	-11.9	0	0	0	116
86	S	30.2	Very low	32.8	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	78%	0.776	S	S	*	*			trans	-108.2	129.4	171	-72.6	0	0	0	0	112
87	R	31.9	Very low	32.5	Very low	248 Å²	248	141 Å²	141	94%	0.936	78%	0.777	S	S	*	*			trans	-88.2	122.7	178.5	-74.8	-178.6	170.4	-178	-3.6	112
88	N	28.2	Very low	32.5	Very low	146 Å²	146	140 Å²	140	78%	0.781	78%	0.775	S	S	*	*			trans	-110.6	126.9	158.9	-73.9	-42.3	0	0	0	108.8
89	F	31.5	Very low	32.4	Very low	203 Å²	203	137 Å²	137	89%	0.89	77%	0.77	S	S	*	*			trans	-177.4	138.6	163	-88.8	-74.4	0	0	0	106.7
90	D	31.3	Very low	32.3	Very low	95 Å²	95	139.3 Å²	139.3	51%	0.508	77%	0.768	S	S	.	*			cis	-164.7	-179.4	-17.5	-146.4	-5.1	0	0	0	113.7
91	H	32.1	Very low	32.4	Very low	92 Å²	92	142 Å²	142	43%	0.426	76%	0.762	S	S	.	*			trans	12.7	152.8	142.9	-73.8	15.6	0	0	0	121.6	F342	H91-F342 AromaticContact CE1-CD1 3.91Å; H91-F342 AromaticContact CE1-CE1 3.37Å; H91-F342 WeakPolarHBondContact CE1-CE1 3.44Å; H91-F342 AromaticContact NE2-CE1 3.99Å
92	R	31.1	Very low	32.5	Very low	160 Å²	160	140.2 Å²	140.2	60%	0.604	75%	0.754	S	S	*	*			cis	-162.4	-170.3	-1.1	-115.6	176.2	-162.3	-139.2	3.6	110.8
93	R	27.8	Very low	32.6	Very low	229 Å²	229	138.3 Å²	138.3	86%	0.864	75%	0.745	S	S	*	*			trans	-116.4	160.6	-177.4	-40.7	176.5	-169	178.3	3.6	113
94	G	29.1	Very low	32.8	Very low	75 Å²	75	137.6 Å²	137.6	77%	0.773	74%	0.737	S	S	*	*			trans	145.7	102	144.4	0	0	0	0	0	121.4
95	S	31.4	Very low	33	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	73%	0.732	S	S	*	*			trans	-1.4	175.7	135.8	-66.9	0	0	0	0	123.8
96	P	37.6	Very low	33.3	Very low	104 Å²	104	140 Å²	140	68%	0.675	73%	0.727	S	S	*	*			cis	-143.5	-142.4	-42.4	44.1	-24.9	0	0	0	113.9
97	Y	31.3	Very low	33.3	Very low	213 Å²	213	141 Å²	141	84%	0.835	72%	0.721	S	S	*	*			trans	86.1	150.8	176.5	-70.2	-91.8	0	0	0	118.1
98	S	35.2	Very low	33.3	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	71%	0.714	S	S	*	*			cis	-176.9	156.9	-31.5	54.2	0	0	0	0	113.2
99	G	33.4	Very low	33.5	Very low	67 Å²	67	139.8 Å²	139.8	69%	0.691	72%	0.715	S	S	*	*			trans	98.2	131.5	165.6	0	0	0	0	0	116.1
100	H	35.4	Very low	33.4	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.787	71%	0.705	S	S	*	*				90	137.9	57.7	-94.8	-117.8	0	0	0	113.1
101	E	34.8	Very low	33.5	Very low	124 Å²	124	137.7 Å²	137.7	58%	0.579	72%	0.717	S	S	*	*			cis	-163.9	176	4.4	-162.4	162	-176.2	0	0	112.7
102	F	35.8	Very low	33.4	Very low	179 Å²	179	136.8 Å²	136.8	79%	0.785	72%	0.721	S	S	*	*			trans	65.2	145.7	169	-53.2	-71.6	0	0	0	118.7
103	D	37.4	Very low	33.3	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	73%	0.731	S	S	*	*			cis	-167.6	164.4	-24.4	-171.7	65.8	0	0	0	106.6	H105	D103-H105 IonicContact OD1-ND1 3.89Å; D103-H105 IonicContact OD2-CE1 2.76Å; D103-H105 PolarHBondContact OD2-CE1 3.24Å; D103-H105 IonicContact OD2-CG 2.91Å; D103-H105 IonicContact OD2-ND1 3.74Å; D103-H105 PolarHBondContact OD2-ND1 3.07Å
104	G	37.9	Very low	33.4	Very low	59 Å²	59	128.3 Å²	128.3	61%	0.608	72%	0.716	S	S	*	*			cis	160.7	-152.4	-8.4	0	0	0	0	0	111.3
105	H	39.1	Very low	33.6	Very low	150 Å²	150	132.8 Å²	132.8	69%	0.694	72%	0.716	S	S	*	*			trans	46.9	136	166.9	-65	73	0	0	0	121.5	D103	D103-H105 IonicContact OD1-ND1 3.89Å; D103-H105 IonicContact OD2-CE1 2.76Å; D103-H105 PolarHBondContact OD2-CE1 3.24Å; D103-H105 IonicContact OD2-CG 2.91Å; D103-H105 IonicContact OD2-ND1 3.74Å; D103-H105 PolarHBondContact OD2-ND1 3.07Å
106	Q	36.8	Very low	33.6	Very low	150 Å²	150	131.4 Å²	131.4	70%	0.701	71%	0.707	S	S	*	*			cis	-154.5	132.7	-17.9	-103.4	-171	13.5	0	0	111.5
107	I	30.8	Very low	33.3	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	71%	0.71	S	S	*	*			trans	23.2	132.8	138.5	-23.3	171.1	0	0	0	121.9
108	I	32.1	Very low	33.4	Very low	151 Å²	151	126.8 Å²	126.8	77%	0.774	70%	0.703	S	S	*	*				157.1	104.6	120.4	-77	178.2	0	0	0	114.6
109	R	32	Very low	33.5	Very low	217 Å²	217	128.8 Å²	128.8	82%	0.819	71%	0.706	S	S	*	*			trans	39.4	116.5	134.2	-61.9	-174	173	177.3	-1.1	125
110	T	29.7	Very low	34.1	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	69%	0.69	S	S	*	*				73.7	156.6	120.2	65.6	0	0	0	0	123.4
111	L	32.6	Very low	34.2	Very low	142 Å²	142	124.3 Å²	124.3	74%	0.743	68%	0.675	S	S	*	*			trans	72.2	153.3	167.7	-58.4	168.7	0	0	0	115.2
112	S	29.9	Very low	34	Very low	73 Å²	73	128.4 Å²	128.4	51%	0.51	69%	0.686	S	S	.	*			cis	-173.9	159.8	-35.5	-105.5	0	0	0	0	107.7
113	T	28.6	Very low	34	Very low	134 Å²	134	124 Å²	124	82%	0.822	68%	0.678	S	S	*	*			trans	59.4	161.2	162.6	42.8	0	0	0	0	116.9
114	S	31.3	Very low	34	Very low	78 Å²	78	123.5 Å²	123.5	55%	0.545	68%	0.679	S	S	.	*			cis	-161.7	173.2	-34.2	50.8	0	0	0	0	109.1
115	E	32.4	Very low	33.8	Very low	168 Å²	168	128.6 Å²	128.6	79%	0.785	69%	0.687	S	S	*	*			trans	63.4	174.1	155.4	-70.3	146	-108.7	0	0	119.8
116	S	31.6	Very low	33.6	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	68%	0.684	S	S	*	*				-164.8	152.7	-75.3	57.2	0	0	0	0	112.3
117	S	31.1	Very low	33.5	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	69%	0.685	S	S	*	*			trans	65.3	175.5	165	91.7	0	0	0	0	115.2
118	T	33.4	Very low	33.6	Very low	114 Å²	114	124.4 Å²	124.4	70%	0.699	68%	0.678	S	S	*	*			cis	-145.2	136.3	-4.2	5.3	0	0	0	0	106.6
119	N	37.1	Very low	33.7	Very low	149 Å²	149	124.7 Å²	124.7	80%	0.797	68%	0.68	S	S	*	*				63.3	169.8	92.7	-107.1	-6.9	0	0	0	115.7
120	P	46.2	Very low	33.8	Very low	54 Å²	54	120.1 Å²	120.1	35%	0.351	68%	0.676	S	S	.	*			cis	-139.8	-155.2	-27.5	37.3	-16.6	0	0	0	114.3	G14	G14-P120 WeakPolarHBondContact O-CD 3.47Å
121	N	37	Very low	34	Very low	90 Å²	90	121.1 Å²	121.1	48%	0.481	67%	0.673	S	S	.	*			trans	98.2	142.7	163.3	-47.6	-66.7	0	0	0	116.6	G14	G14-N121 VanDerWaalsContact C-ND2 3.33Å; G14-N121 PolarHBondContact O-ND2 2.94Å
122	Y	31.8	Very low	34.1	Very low	209 Å²	209	118.3 Å²	118.3	82%	0.82	66%	0.661	S	S	*	*			cis	-141.2	117.3	18	-177.1	-97.9	0	0	0	114
123	S	35.7	Very low	34.6	Very low	86 Å²	86	116.2 Å²	116.2	60%	0.601	65%	0.652	S	S	*	*			trans	63.6	159.2	146.3	-40.7	0	0	0	0	119.9
124	V	36.8	Very low	35.2	Very low	119 Å²	119	111.4 Å²	111.4	72%	0.721	62%	0.624	S	S	*	*			cis	-137.7	158.9	11.3	-179.4	0	0	0	0	110.9
125	E	33.4	Very low	35.5	Very low	166 Å²	166	109.2 Å²	109.2	78%	0.776	61%	0.608	S	S	*	*			trans	-5.9	137.3	169.8	-71.2	149.3	152.4	0	0	122.6
126	S	35.6	Very low	35.6	Very low	89 Å²	89	104.5 Å²	104.5	62%	0.622	59%	0.586	S	S	*	*				93.5	168.1	74	-52.9	0	0	0	0	112.9
127	T	34.9	Very low	35.9	Very low	117 Å²	117	105.1 Å²	105.1	72%	0.718	59%	0.59	S	S	*	*			cis	-138.2	-134.4	10.2	-42.4	0	0	0	0	112
128	Y	31.6	Very low	36	Very low	148 Å²	148	106.7 Å²	106.7	58%	0.58	59%	0.59	S	S	*	*			trans	-145.2	-171.2	-160.9	-43.8	-61	0	0	0	115.6	R10	R10-Y128 PolarHBondContact NH1-OH 3.42Å; R10-Y128 VanDerWaalsContact NH2-CZ 3.32Å; R10-Y128 PolarHBondContact NH2-OH 3.11Å; R10-Y128 VanDerWaalsContact NH2-OH 3.07Å
129	L	35.7	Very low	35.8	Very low	156 Å²	156	106.6 Å²	106.6	82%	0.817	59%	0.59	S	S	*	*			trans	76.5	131.5	-179.5	-68.3	143.5	0	0	0	116
130	V	34.3	Very low	35.6	Very low	121 Å²	121	104.5 Å²	104.5	73%	0.733	59%	0.587	S	S	*	*			cis	93.2	89.6	10.1	-169.3	0	0	0	0	117.4
131	Q	34.3	Very low	35.2	Very low	133 Å²	133	109.5 Å²	109.5	62%	0.621	61%	0.61	S	S	*	*			trans	172.5	111.6	144.9	-94.3	164.4	45.3	0	0	107.9
132	T	32.9	Very low	35.1	Very low	82 Å²	82	110 Å²	110	50%	0.503	62%	0.621	S	S	.	*				72.2	130.6	67	61.6	0	0	0	0	116.9	R752	T132-R752 WeakPolarHBondContact O-CB 3.49Å; T132-R752 VanDerWaalsContact OG1-CD 3.3Å; T132-R752 WeakPolarHBondContact OG1-CD 3.45Å; T132-R752 WeakPolarHBondContact OG1-CG 3.48Å; T132-R752 PolarHBondContact OG1-NH1 3.36Å
133	G	40.1	Very low	35.1	Very low	30 Å²	30	108.8 Å²	108.8	31%	0.309	62%	0.62	S	S	.	*			trans	101	89.5	131.5	0	0	0	0	0	121.4	R752 S753	G133-R752 PolarHBondContact O-N 3.49Å; G133-R752 VanDerWaalsContact O-N 3.16Å; G133-S753 PolarHBondContact O-N 3.21Å
134	S	41.6	Very low	35	Very low	33 Å²	33	111.3 Å²	111.3	23%	0.231	62%	0.622	C	S	.	*			trans	76	156.9	140.3	-47	0	0	0	0	118.2	Q749 E750 S753	S134-Q749 PolarHBondContact OG-NE2 3.13Å; S134-E750 PolarHBondContact OG-O 2.67Å; S134-S753 VanDerWaalsContact O-O 3.11Å
135	S	38.2	Very low	34.8	Very low	31 Å²	31	112.2 Å²	112.2	22%	0.217	62%	0.619	C	S	.	*			cis	-168.2	166.3	-27.1	49.8	0	0	0	0	113.7	Q742	S135-Q742 PolarHBondContact O-NE2 3.04Å; S135-Q742 PolarHBondContact O-OE1 3.36Å
136	E	34.3	Very low	34.5	Very low	69 Å²	69	112.6 Å²	112.6	32%	0.322	61%	0.613	S	S	.	*			trans	62.5	168.4	162.3	-58.9	110.9	-157.5	0	0	120.6	F743 K744 V745	E136-F743 WeakPolarHBondContact CG-O 3.17Å; E136-F743 PolarHBondContact OE2-N 2.98Å; E136-F743 VanDerWaalsContact OE2-N 3.16Å; E136-K744 HydrophobicContact CG-CB 4.42Å; E136-V745 WeakPolarHBondContact OE1-CA 3.35Å; E136-V745 PolarHBondContact OE1-N 2.96Å; E136-V745 VanDerWaalsContact OE1-N 3.13Å
137	S	37.4	Very low	34.5	Very low	106 Å²	106	113.3 Å²	113.3	74%	0.741	62%	0.616	S	S	*	*			trans	77.1	168.4	-180	-35.2	0	0	0	0	115.7
138	D	33.1	Very low	34.3	Very low	138 Å²	138	113.7 Å²	113.7	74%	0.738	61%	0.607	S	S	*	*			trans	47.2	106.4	167.4	-65.7	-42.3	0	0	0	122.3
139	T	30.2	Very low	34	Very low	113 Å²	113	113.2 Å²	113.2	69%	0.693	62%	0.62	S	S	*	*				40.8	122.1	98	-40.2	0	0	0	0	118.7
140	S	32.8	Very low	33.6	Very low	104 Å²	104	112.3 Å²	112.3	73%	0.727	62%	0.621	S	S	*	*			trans	66.1	159.6	157.5	70.6	0	0	0	0	118.3
141	L	36.6	Very low	33.5	Very low	160 Å²	160	114.4 Å²	114.4	84%	0.838	63%	0.627	S	S	*	*			cis	-164.4	166.1	-25.8	-102.9	167	0	0	0	107.2
142	S	35.3	Very low	33.2	Very low	101 Å²	101	118 Å²	118	71%	0.706	64%	0.641	S	S	*	*			trans	72.1	126.6	151.7	66.9	0	0	0	0	126.1
143	F	32.5	Very low	33.1	Very low	182 Å²	182	118.7 Å²	118.7	80%	0.798	65%	0.645	S	S	*	*				72.3	117.1	126.7	-79.2	-129.3	0	0	0	125.7
144	Q	33.9	Very low	32.6	Very low	140 Å²	140	124.7 Å²	124.7	65%	0.654	67%	0.67	S	S	*	*				86.3	113.9	129.4	-68	-167.5	20.4	0	0	126.7
145	Q	31.7	Very low	31.9	Very low	138 Å²	138	128.2 Å²	128.2	65%	0.645	69%	0.693	S	S	*	*				79.2	105.1	129.9	-61.8	-170.2	66.4	0	0	125.9
146	R	27.8	Very low	31.8	Very low	173 Å²	173	134.3 Å²	134.3	65%	0.653	72%	0.718	S	S	*	*			trans	61	169.2	138.2	-86.5	179.8	173.8	174.5	1.4	120.8	S183	R146-S183 PolarHBondContact NE-OG 2.87Å; R146-S183 PolarHBondContact NH2-OG 3.05Å
147	P	34.6	Very low	31.6	Very low	105 Å²	105	136.4 Å²	136.4	68%	0.682	74%	0.738	S	S	*	*			cis	-136.2	159.7	-16.2	37.2	-17.9	0	0	0	118.6
148	K	31.2	Very low	31.4	Very low	124 Å²	124	139.9 Å²	139.9	54%	0.539	74%	0.74	S	S	.	*			trans	46.8	113.2	143.1	-63.6	-174.2	176.8	-178.2	0	124.2	C181 I182	K148-C181 WeakPolarHBondContact CE-O 3.34Å; K148-I182 HydrophobicContact CB-CD1 4.44Å; K148-I182 HydrophobicContact CB-CG2 4.48Å; K148-I182 HydrophobicContact CD-CB 4.42Å; K148-I182 HydrophobicContact CD-CD1 4.13Å; K148-I182 HydrophobicContact CG-CB 3.7Å; K148-I182 HydrophobicContact CG-CD1 3.77Å; K148-I182 HydrophobicContact CG-CG1 4.3Å; K148-I182 HydrophobicContact CG-CG2 3.76Å
149	T	25.5	Very low	31.9	Very low	139 Å²	139	137.4 Å²	137.4	85%	0.853	73%	0.726	S	S	*	*				-162.7	171.4	126.1	3.7	0	0	0	0	113.4
150	T	28.1	Very low	33	Very low	137 Å²	137	136.2 Å²	136.2	84%	0.84	71%	0.713	S	S	*	*			trans	-75.5	138.9	-166.2	42.5	0	0	0	0	116.8
151	L	31.3	Very low	34.2	Very low	164 Å²	164	135.4 Å²	135.4	86%	0.859	70%	0.7	S	S	*	*			trans	-120.5	143.3	168.6	-74.1	168.6	0	0	0	111.9
152	K	28.6	Very low	36	Very low	208 Å²	208	132.2 Å²	132.2	90%	0.904	68%	0.684	S	S	*	*			trans	-82.7	120.9	170.2	-72.2	-179.7	178.2	176.6	0	109.7	N154	K152-N154 PolarHBondContact O-N 3.22Å
153	V	30.3	Very low	38.3	Very low	98 Å²	98	130.8 Å²	130.8	59%	0.594	67%	0.668	S	S	*	*			trans	-89.5	100.8	177	-175.2	0	0	0	0	109.7
154	N	29.4	Very low	40.8	Very low	156 Å²	156	124.6 Å²	124.6	83%	0.834	64%	0.64	S	S	*	*			trans	-80.3	128.4	163.4	-85.1	4	0	0	0	109.1	K152	K152-N154 PolarHBondContact O-N 3.22Å
155	C	28.1	Very low	43.2	Very low	106 Å²	106	120.5 Å²	120.5	72%	0.716	63%	0.626	S	S	*	*			trans	-106.2	106.6	-177.9	-65.8	0	0	0	0	111.5
156	E	34.4	Very low	45.8	Very low	160 Å²	160	119.2 Å²	119.2	75%	0.748	62%	0.624	S	S	*	*			trans	-113.9	106.8	162.9	-72.9	-147.3	115.5	0	0	110.5	K158	E156-K158 PolarHBondContact O-N 3.07Å
157	P	30.6	Very low	48.8	Very low	113 Å²	113	111.4 Å²	111.4	73%	0.734	60%	0.595	S	S	*	*			trans	-87.6	84	-175.3	33.8	-33.7	0	0	0	111.7
158	K	34.1	Very low	51.3	Low	179 Å²	179	107.2 Å²	107.2	78%	0.778	57%	0.566	S	S	*	*			trans	-126.8	17.7	179.7	-73.9	-176.9	-177.8	162.9	0	116.4	E156	E156-K158 PolarHBondContact O-N 3.07Å
159	N	42.8	Very low	53.9	Low	85 Å²	85	104.8 Å²	104.8	46%	0.455	56%	0.559	S	S	.	*			trans	-155.6	123.6	153.2	-153.6	-11.9	0	0	0	111.5	N162	N159-N162 HydrophobicContact CB-CB 3.99Å; N159-N162 PolarHBondContact ND2-OD1 2.9Å; N159-N162 VanDerWaalsContact ND2-OD1 3.14Å
160	H	53.5	Low	56.9	Low	89 Å²	89	98.5 Å²	98.5	41%	0.412	52%	0.523	S	S	.	.	H	α-helix	trans	-71.6	-34.7	179.3	-78.6	-58.9	0	0	0	112	L163 R164 P301	H160-L163 PolarHBondContact O-N 3.18Å; H160-R164 PolarHBondContact O-N 3.25Å; H160-P301 WeakPolarHBondContact ND1-CG 3.23Å
161	D	58.3	Low	59.8	Low	87 Å²	87	92 Å²	92	47%	0.465	48%	0.483	S	S	.	.	H	α-helix	trans	-71.1	-35.4	-180	-64.6	-49	0	0	0	111.7	L163 R164 S165	D161-L163 VanDerWaalsContact C-N 3.32Å; D161-L163 PolarHBondContact O-N 3.2Å; D161-R164 PolarHBondContact O-N 3.33Å; D161-S165 WeakPolarHBondContact O-CB 3.18Å; D161-S165 PolarHBondContact O-N 3.33Å; D161-S165 PolarHBondContact O-OG 3.44Å
162	N	74.3	Confident	62.4	Low	93 Å²	93	89.3 Å²	89.3	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-58.6	-42.7	172	-66.9	14.6	0	0	0	111.5	N159 N166	N159-N162 HydrophobicContact CB-CB 3.99Å; N159-N162 PolarHBondContact ND2-OD1 2.9Å; N159-N162 VanDerWaalsContact ND2-OD1 3.14Å; N162-N166 WeakPolarHBondContact O-CB 3.32Å; N162-N166 PolarHBondContact O-N 3.35Å; N162-N166 PolarHBondContact O-ND2 2.85Å; N162-N166 PolarHBondContact O-OD1 3.19Å
163	L	82.9	Confident	65	Low	71 Å²	71	84.9 Å²	84.9	37%	0.372	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-39.8	176.7	-179.4	61.9	0	0	0	111.9	H160 D161 L167 Y198	H160-L163 PolarHBondContact O-N 3.18Å; D161-L163 VanDerWaalsContact C-N 3.32Å; D161-L163 PolarHBondContact O-N 3.2Å; L163-L167 HydrophobicContact CD1-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.14Å; L163-L167 WeakPolarHBondContact O-CB 3.24Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.35Å; L163-Y198 HydrophobicContact CD2-CD2 4.39Å
164	R	86.3	Confident	67.6	Low	52 Å²	52	82 Å²	82	20%	0.196	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-51.3	177.3	-177	-177.8	177.8	175.3	3.5	111.1	H160 D161 L167 I168 E295	H160-R164 PolarHBondContact O-N 3.25Å; D161-R164 PolarHBondContact O-N 3.33Å; R164-L167 PolarHBondContact O-N 2.85Å; R164-I168 HydrophobicContact CG-CD1 3.91Å; R164-I168 VanDerWaalsContact O-CG1 3.28Å; R164-I168 WeakPolarHBondContact O-CG1 3.4Å; R164-I168 PolarHBondContact O-N 2.56Å; R164-E295 IonicContact CZ-OE2 3.87Å; R164-E295 IonicContact NH1-OE2 3.5Å; R164-E295 PolarHBondContact NH1-OE2 3Å; R164-E295 IonicContact NH2-OE2 2.78Å; R164-E295 PolarHBondContact NH2-OE2 3.28Å
165	S	84.4	Confident	70.3	Confident	53 Å²	53	78.9 Å²	78.9	37%	0.371	42%	0.418	S	S	.	.	H	α-helix	trans	-65.3	-49.2	-179.7	-59.1	0	0	0	0	111.6	D161 L167 I168 D169	D161-S165 WeakPolarHBondContact O-CB 3.18Å; D161-S165 PolarHBondContact O-N 3.33Å; D161-S165 PolarHBondContact O-OG 3.44Å; S165-L167 PolarHBondContact O-N 2.7Å; S165-L167 VanDerWaalsContact O-N 3.12Å; S165-I168 CarbonylContact O-C 3.53Å; S165-I168 WeakPolarHBondContact O-CA 3.39Å; S165-I168 PolarHBondContact O-N 2.93Å; S165-D169 PolarHBondContact O-N 3.39Å
166	N	86.3	Confident	73.4	Confident	111 Å²	111	75.9 Å²	75.9	59%	0.594	39%	0.392	S	S	*	.	H	α-helix	trans	-57.1	-34.1	178.6	-69.4	-5.5	0	0	0	112.9	N162 G170	N162-N166 WeakPolarHBondContact O-CB 3.32Å; N162-N166 PolarHBondContact O-N 3.35Å; N162-N166 PolarHBondContact O-ND2 2.85Å; N162-N166 PolarHBondContact O-OD1 3.19Å; N166-G170 PolarHBondContact O-N 2.93Å; N166-G170 VanDerWaalsContact O-N 3.11Å
167	L	89.9	Confident	76.1	Confident	9 Å²	9	72.9 Å²	72.9	5%	0.047	38%	0.378	C	S	.	.	H	α-helix	trans	-74.3	-38.1	173.4	-71	172.4	0	0	0	112.6	L163 R164 S165 L171 Y176 I200 P299	L163-L167 HydrophobicContact CD1-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.14Å; L163-L167 WeakPolarHBondContact O-CB 3.24Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.34Å; L163-L167 PolarHBondContact O-N 3.35Å; R164-L167 PolarHBondContact O-N 2.85Å; S165-L167 PolarHBondContact O-N 2.7Å; S165-L167 VanDerWaalsContact O-N 3.12Å; L167-L171 WeakPolarHBondContact O-CD1 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.13Å; L167-L171 PolarHBondContact O-N 2.97Å; L167-Y176 HydrophobicContact CD2-CD2 4.17Å; L167-Y176 HydrophobicContact CD2-CE2 3.56Å; L167-I200 HydrophobicContact CD2-CD1 4.25Å; L167-P299 HydrophobicContact CB-CB 3.98Å; L167-P299 HydrophobicContact CB-CG 3.9Å; L167-P299 HydrophobicContact CD1-CB 4.08Å
168	I	88	Confident	79.2	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.087	34%	0.343	C	S	.	.	H	α-helix	trans	-67.2	-49.6	177	-69.8	168.4	0	0	0	110.7	R164 S165 L171 R172 I264 P299	R164-I168 HydrophobicContact CG-CD1 3.91Å; R164-I168 VanDerWaalsContact O-CG1 3.28Å; R164-I168 WeakPolarHBondContact O-CG1 3.4Å; R164-I168 PolarHBondContact O-N 2.56Å; S165-I168 CarbonylContact O-C 3.53Å; S165-I168 WeakPolarHBondContact O-CA 3.39Å; S165-I168 PolarHBondContact O-N 2.93Å; I168-L171 PolarHBondContact O-N 2.71Å; I168-R172 HydrophobicContact CG2-CG 4.35Å; I168-R172 WeakPolarHBondContact O-CB 3.34Å; I168-R172 WeakPolarHBondContact O-CG 3.36Å; I168-R172 PolarHBondContact O-N 2.84Å; I168-I264 HydrophobicContact CD1-CD1 3.74Å; I168-I264 HydrophobicContact CD1-CG1 4.22Å; I168-I264 HydrophobicContact CG1-CD1 4.17Å; I168-I264 HydrophobicContact CG1-CG1 4.32Å; I168-I264 HydrophobicContact CG1-CG2 3.94Å; I168-P299 HydrophobicContact CD1-CG 4.41Å; I168-P299 HydrophobicContact CG1-CG 3.68Å
169	D	85.7	Confident	81.9	Confident	73 Å²	73	63.5 Å²	63.5	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-71.5	-38.5	-175.2	-59.7	-33.2	0	0	0	111.2	S165 L171 R172 N173	S165-D169 PolarHBondContact O-N 3.39Å; D169-L171 VanDerWaalsContact C-N 3.28Å; D169-L171 PolarHBondContact O-N 3.45Å; D169-R172 PolarHBondContact O-N 2.96Å; D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 PolarHBondContact O-N 2.06Å
170	G	87.4	Confident	84.2	Confident	8 Å²	8	62 Å²	62	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-34.4	172.7	0	0	0	0	0	113.4	N166 S174 T175 Y176	N166-G170 PolarHBondContact O-N 2.93Å; N166-G170 VanDerWaalsContact O-N 3.11Å; G170-S174 CarbonylContact O-C 3.53Å; G170-S174 PolarHBondContact O-N 3.42Å; G170-T175 PolarHBondContact O-N 2.87Å; G170-Y176 WeakPolarHBondContact O-CB 3.23Å; G170-Y176 PolarHBondContact O-N 2.88Å
171	L	90	Very high	86	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-80.3	-42.7	174.3	-68.1	168	0	0	0	112.4	L167 I168 D169 N173 S174 I185 V187 I200 F248 P265	L167-L171 WeakPolarHBondContact O-CD1 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.13Å; L167-L171 PolarHBondContact O-N 2.97Å; I168-L171 PolarHBondContact O-N 2.71Å; D169-L171 VanDerWaalsContact C-N 3.28Å; D169-L171 PolarHBondContact O-N 3.45Å; L171-N173 VanDerWaalsContact C-N 3.34Å; L171-N173 PolarHBondContact O-N 2.74Å; L171-S174 PolarHBondContact O-N 3.06Å; L171-S174 VanDerWaalsContact O-N 3.07Å; L171-I185 HydrophobicContact CD2-CG2 4.14Å; L171-V187 WeakPolarHBondContact O-CG2 3.47Å; L171-I200 HydrophobicContact CD1-CD1 3.74Å; L171-I200 HydrophobicContact CD2-CD1 4.13Å; L171-I200 HydrophobicContact CG-CD1 4.23Å; L171-F248 HydrophobicContact CD1-CE2 4.5Å; L171-F248 HydrophobicContact CD1-CZ 3.77Å; L171-P265 HydrophobicContact CB-CB 3.79Å; L171-P265 HydrophobicContact CB-CG 4.04Å; L171-P265 HydrophobicContact CD1-CB 4.47Å
172	R	85.7	Confident	87.5	Confident	108 Å²	108	57.6 Å²	57.6	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-44.1	-179.8	-80.3	-179.3	168.9	168.4	-5.4	111.7	I168 D169 S174 M262 T263 P265	I168-R172 HydrophobicContact CG2-CG 4.35Å; I168-R172 WeakPolarHBondContact O-CB 3.34Å; I168-R172 WeakPolarHBondContact O-CG 3.36Å; I168-R172 PolarHBondContact O-N 2.84Å; D169-R172 PolarHBondContact O-N 2.96Å; R172-S174 PolarHBondContact O-N 3.16Å; R172-M262 PolarHBondContact NH2-O 3.27Å; R172-M262 VanDerWaalsContact NH2-O 3.14Å; R172-T263 PolarHBondContact NE-O 3.46Å; R172-T263 PolarHBondContact NH2-O 2.84Å; R172-P265 HydrophobicContact CB-CG 4.42Å; R172-P265 HydrophobicContact CG-CG 3.66Å
173	N	83.3	Confident	88.4	Confident	115 Å²	115	54 Å²	54	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	2	178.6	-58.2	-16.6	0	0	0	112.2	D169 L171 T175	D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 PolarHBondContact O-N 2.06Å; L171-N173 VanDerWaalsContact C-N 3.34Å; L171-N173 PolarHBondContact O-N 2.74Å; N173-T175 HydrophobicContact CB-CG2 4.09Å; N173-T175 PolarHBondContact O-N 3.32Å; N173-T175 VanDerWaalsContact O-N 3.11Å
174	S	83.8	Confident	88.8	Confident	36 Å²	36	54.6 Å²	54.6	25%	0.252	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	23.7	-174.3	-57.6	0	0	0	0	114.8	G170 L171 R172 E184	G170-S174 CarbonylContact O-C 3.53Å; G170-S174 PolarHBondContact O-N 3.42Å; L171-S174 PolarHBondContact O-N 3.06Å; L171-S174 VanDerWaalsContact O-N 3.07Å; R172-S174 PolarHBondContact O-N 3.16Å; S174-E184 VanDerWaalsContact O-CB 3.28Å; S174-E184 WeakPolarHBondContact O-CB 3.48Å; S174-E184 VanDerWaalsContact O-CG 3.31Å; S174-E184 WeakPolarHBondContact O-CG 3.25Å
175	T	87.6	Confident	89.1	Confident	92 Å²	92	52.1 Å²	52.1	56%	0.564	28%	0.275	S	S	*	.			trans	-85.6	-14.1	179.8	56.6	0	0	0	0	113.5	G170 N173 Q177	G170-T175 PolarHBondContact O-N 2.87Å; N173-T175 HydrophobicContact CB-CG2 4.09Å; N173-T175 PolarHBondContact O-N 3.32Å; N173-T175 VanDerWaalsContact O-N 3.11Å; T175-Q177 PolarHBondContact O-N 2.87Å
176	Y	91.2	Very high	89.2	Confident	43 Å²	43	57.1 Å²	57.1	17%	0.169	29%	0.285	C	S	.	.			trans	-69.7	119.5	179.3	-169.3	-80.4	0	0	0	111.1	L167 G170 I185 I200	L167-Y176 HydrophobicContact CD2-CD2 4.17Å; L167-Y176 HydrophobicContact CD2-CE2 3.56Å; G170-Y176 WeakPolarHBondContact O-CB 3.23Å; G170-Y176 PolarHBondContact O-N 2.88Å; Y176-I185 HydrophobicContact CD1-CD1 3.83Å; Y176-I185 HydrophobicContact CD1-CG1 4.34Å; Y176-I185 HydrophobicContact CE1-CD1 4.14Å; Y176-I185 PolarHBondContact O-N 2.81Å; Y176-I200 HydrophobicContact CD1-CB 4.34Å; Y176-I200 HydrophobicContact CE1-CB 3.74Å; Y176-I200 HydrophobicContact CE1-CG1 4.44Å; Y176-I200 WeakPolarHBondContact CE1-O 3.42Å; Y176-I200 PolarHBondContact OH-N 3.35Å; Y176-I200 VanDerWaalsContact OH-N 3.15Å
177	Q	92.2	Very high	89.2	Confident	96 Å²	96	52.9 Å²	52.9	45%	0.449	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.3	-178.2	-62.9	-176.3	2.6	0	0	112.5	T175 M179 S183 E184	T175-Q177 PolarHBondContact O-N 2.87Å; Q177-M179 PolarHBondContact O-N 3.24Å; Q177-S183 WeakPolarHBondContact CA-O 3.3Å; Q177-E184 HydrophobicContact CG-CG 4.44Å
178	C	94.5	Very high	88.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.7	170.5	171.3	0	0	0	0	110.1	I180 C181 I182 S183 I185 H202	C178-I180 PolarHBondContact O-N 3.4Å; C178-C181 PolarHBondContact O-N 3.19Å; C178-I182 VanDerWaalsContact O-CA 3.27Å; C178-I182 WeakPolarHBondContact O-CA 3.13Å; C178-I182 PolarHBondContact O-N 3.11Å; C178-S183 PolarHBondContact N-O 3.27Å; C178-I185 HydrophobicContact CB-CD1 3.91Å; C178-I185 HydrophobicContact CB-CG1 3.85Å; C178-H202 WeakPolarHBondContact CB-ND1 3.4Å; C178-H202 PolarHBondContact SG-N 3Å; C178-H202 VanDerWaalsContact SG-N 3.43Å
179	M	91.1	Very high	89	Confident	96 Å²	96	59 Å²	59	47%	0.473	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.3	-174.9	-67.7	179.3	67.5	0	0	115.5	Q177 Y201 S231	Q177-M179 PolarHBondContact O-N 3.24Å; M179-Y201 HydrophobicContact CB-CE1 4.28Å; M179-S231 PolarHBondContact SD-OG 3.38Å
180	I	91.1	Very high	89.3	Confident	54 Å²	54	58.2 Å²	58.2	28%	0.277	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-46.4	-179.2	-63.5	163.9	0	0	0	111.7	C178 Y201 C205 I206 W209 P230	C178-I180 PolarHBondContact O-N 3.4Å; I180-Y201 HydrophobicContact CD1-CD1 3.5Å; I180-Y201 HydrophobicContact CD1-CE1 4.07Å; I180-Y201 HydrophobicContact CD1-CG 4.18Å; I180-Y201 HydrophobicContact CG1-CD1 3.78Å; I180-Y201 HydrophobicContact CG1-CE1 4.1Å; I180-C205 HydrophobicContact CB-CB 3.91Å; I180-C205 HydrophobicContact CD1-CB 4Å; I180-C205 HydrophobicContact CG2-CB 3.83Å; I180-I206 HydrophobicContact CD1-CB 4.44Å; I180-I206 HydrophobicContact CD1-CD1 3.81Å; I180-W209 HydrophobicContact CD1-CB 3.97Å; I180-W209 HydrophobicContact CD1-CG 4.4Å; I180-P230 HydrophobicContact CD1-CG 4.1Å; I180-P230 HydrophobicContact CG1-CG 4.2Å
181	C	92.5	Very high	89.6	Confident	33 Å²	33	57.9 Å²	57.9	22%	0.223	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-17.8	179.9	59.2	0	0	0	0	113	K148 C178 H202	K148-C181 WeakPolarHBondContact CE-O 3.34Å; C178-C181 PolarHBondContact O-N 3.19Å; C181-H202 PolarHBondContact SG-ND1 3.31Å; C181-H202 VanDerWaalsContact SG-ND1 3.4Å
182	I	90.3	Very high	89.8	Confident	50 Å²	50	59 Å²	59	26%	0.256	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	59.6	-172.8	-48.9	169.8	0	0	0	109	K148 C178	K148-I182 HydrophobicContact CB-CD1 4.44Å; K148-I182 HydrophobicContact CB-CG2 4.48Å; K148-I182 HydrophobicContact CD-CB 4.42Å; K148-I182 HydrophobicContact CD-CD1 4.13Å; K148-I182 HydrophobicContact CG-CB 3.7Å; K148-I182 HydrophobicContact CG-CD1 3.77Å; K148-I182 HydrophobicContact CG-CG1 4.3Å; K148-I182 HydrophobicContact CG-CG2 3.76Å; C178-I182 VanDerWaalsContact O-CA 3.27Å; C178-I182 WeakPolarHBondContact O-CA 3.13Å; C178-I182 PolarHBondContact O-N 3.11Å
183	S	91.6	Very high	90	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.6	176.4	-56.3	0	0	0	0	108.5	R146 Q177 C178	R146-S183 PolarHBondContact NE-OG 2.87Å; R146-S183 PolarHBondContact NH2-OG 3.05Å; Q177-S183 WeakPolarHBondContact CA-O 3.3Å; C178-S183 PolarHBondContact N-O 3.27Å
184	E	92.2	Very high	90.3	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	137.4	174.4	-70.9	136.4	-149.4	0	0	111.5	S174 Q177 H202	S174-E184 VanDerWaalsContact O-CB 3.28Å; S174-E184 WeakPolarHBondContact O-CB 3.48Å; S174-E184 VanDerWaalsContact O-CG 3.31Å; S174-E184 WeakPolarHBondContact O-CG 3.25Å; Q177-E184 HydrophobicContact CG-CG 4.44Å; E184-H202 PolarHBondContact O-CE1 3.44Å; E184-H202 VanDerWaalsContact O-CE1 3.31Å; E184-H202 PolarHBondContact O-NE2 2.75Å
185	I	92.1	Very high	90.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.			trans	-90.5	111.4	170.5	-60.2	-173.2	0	0	0	107.2	L171 Y176 C178 D189 I191 I200	L171-I185 HydrophobicContact CD2-CG2 4.14Å; Y176-I185 HydrophobicContact CD1-CD1 3.83Å; Y176-I185 HydrophobicContact CD1-CG1 4.34Å; Y176-I185 HydrophobicContact CE1-CD1 4.14Å; Y176-I185 PolarHBondContact O-N 2.81Å; C178-I185 HydrophobicContact CB-CD1 3.91Å; C178-I185 HydrophobicContact CB-CG1 3.85Å; I185-D189 HydrophobicContact CG2-CB 4.37Å; I185-I191 HydrophobicContact CG2-CG2 3.41Å; I185-I191 VanDerWaalsContact CG2-CG2 3.41Å; I185-I200 HydrophobicContact CD1-CB 4.14Å; I185-I200 HydrophobicContact CD1-CG2 3.76Å
186	R	86	Confident	90.2	Very high	158 Å²	158	50.5 Å²	50.5	60%	0.596	27%	0.272	S	S	*	.			trans	-78.5	152.9	176.7	-56.1	170.9	179.5	-177.8	-1.4	109.6	T188 D189 H266	R186-T188 PolarHBondContact O-N 2.74Å; R186-T188 VanDerWaalsContact O-N 3.08Å; R186-D189 HydrophobicContact CB-CB 4.46Å; R186-D189 WeakPolarHBondContact CB-OD2 3.34Å; R186-D189 PolarHBondContact N-OD2 2.94Å; R186-D189 WeakPolarHBondContact O-CB 3.47Å; R186-D189 PolarHBondContact O-N 3.36Å; R186-H266 PolarHBondContact O-CE1 3.37Å
187	V	86.5	Confident	90.1	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	176.3	-176.6	0	0	0	0	113.3	L171 F257 P265 H266	L171-V187 WeakPolarHBondContact O-CG2 3.47Å; V187-F257 HydrophobicContact CB-CD1 4.45Å; V187-F257 HydrophobicContact CG1-CB 3.82Å; V187-F257 HydrophobicContact CG1-CD1 3.24Å; V187-F257 HydrophobicContact CG1-CD2 3.57Å; V187-F257 HydrophobicContact CG1-CE1 3.52Å; V187-F257 HydrophobicContact CG1-CE2 3.84Å; V187-F257 HydrophobicContact CG1-CG 3.24Å; V187-F257 HydrophobicContact CG1-CZ 3.82Å; V187-P265 HydrophobicContact CB-CB 4.48Å; V187-P265 HydrophobicContact CG1-CB 3.89Å; V187-P265 HydrophobicContact CG1-CG 4.16Å; V187-P265 HydrophobicContact CG2-CB 4.16Å; V187-P265 HydrophobicContact CG2-CG 4.03Å; V187-H266 PolarHBondContact O-CE1 2.92Å; V187-H266 VanDerWaalsContact O-CE1 3.23Å
188	T	84.5	Confident	90.1	Very high	124 Å²	124	47.2 Å²	47.2	76%	0.761	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.1	174.7	49.4	0	0	0	0	114.6	R186	R186-T188 PolarHBondContact O-N 2.74Å; R186-T188 VanDerWaalsContact O-N 3.08Å
189	D	90	Very high	89.9	Confident	30 Å²	30	49.5 Å²	49.5	16%	0.16	27%	0.27	C	S	.	.	S	Bend	trans	-73.1	138.6	-177.9	-73.4	-26.5	0	0	0	111.2	I185 R186 I191 H202 H266	I185-D189 HydrophobicContact CG2-CB 4.37Å; R186-D189 HydrophobicContact CB-CB 4.46Å; R186-D189 WeakPolarHBondContact CB-OD2 3.34Å; R186-D189 PolarHBondContact N-OD2 2.94Å; R186-D189 WeakPolarHBondContact O-CB 3.47Å; R186-D189 PolarHBondContact O-N 3.36Å; D189-I191 PolarHBondContact O-N 3.13Å; D189-H202 IonicContact OD2-CD2 3.82Å; D189-H202 PolarHBondContact OD2-CD2 3.11Å; D189-H202 IonicContact OD2-CE1 3.51Å; D189-H202 IonicContact OD2-NE2 3.69Å; D189-H202 PolarHBondContact OD2-NE2 3.13Å; D189-H266 PolarHBondContact O-CE1 2.82Å; D189-H266 PolarHBondContact O-ND1 2.83Å
190	P	92.1	Very high	90.1	Very high	57 Å²	57	45 Å²	45	37%	0.37	25%	0.248	S	C	.	.			trans	-71.8	121.4	170.8	29	-32.7	0	0	0	109.6	L203 Y245	P190-L203 HydrophobicContact CB-CB 4.06Å; P190-L203 HydrophobicContact CB-CD2 4.18Å; P190-L203 HydrophobicContact CG-CB 4.39Å; P190-L203 WeakPolarHBondContact O-CB 3.24Å; P190-L203 PolarHBondContact O-N 3.45Å; P190-Y245 HydrophobicContact CB-CD1 3.8Å; P190-Y245 HydrophobicContact CB-CE1 4.34Å; P190-Y245 HydrophobicContact CB-CG 4.01Å
191	I	93.8	Very high	90.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	169.7	-176.6	63.7	152	0	0	0	114.2	I185 D189 I200 Y201 Y245 F248 H266	I185-I191 HydrophobicContact CG2-CG2 3.41Å; I185-I191 VanDerWaalsContact CG2-CG2 3.41Å; D189-I191 PolarHBondContact O-N 3.13Å; I191-I200 HydrophobicContact CB-CG2 3.86Å; I191-I200 HydrophobicContact CD1-CG2 3.62Å; I191-I200 HydrophobicContact CG1-CG2 4.36Å; I191-I200 HydrophobicContact CG2-CG2 3.98Å; I191-Y201 CarbonylContact C-O 3.55Å; I191-Y201 VanDerWaalsContact CA-O 3.31Å; I191-Y201 WeakPolarHBondContact CA-O 3.1Å; I191-Y245 HydrophobicContact CG1-CD2 3.85Å; I191-Y245 HydrophobicContact CG1-CE2 3.61Å; I191-Y245 VanDerWaalsContact N-CD2 3.32Å; I191-Y245 WeakPolarHBondContact O-CD2 3.26Å; I191-F248 HydrophobicContact CD1-CE1 3.85Å; I191-F248 HydrophobicContact CD1-CZ 4.13Å; I191-H266 HydrophobicContact CD1-CB 3.56Å; I191-H266 HydrophobicContact CG1-CB 3.89Å
192	W	93.3	Very high	90.3	Very high	22 Å²	22	41.8 Å²	41.8	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.3	159.4	-179.4	90.6	0	0	0	109.3	C194 I200 Y201 L203 I206 W227 Y236 L242	W192-C194 HydrophobicContact CH2-CB 3.92Å; W192-C194 HydrophobicContact CZ3-CB 3.8Å; W192-I200 WeakPolarHBondContact O-CA 3.49Å; W192-Y201 AromaticContact CE3-CD2 3.87Å; W192-Y201 HydrophobicContact CE3-CD2 3.87Å; W192-Y201 HydrophobicContact CE3-CE2 4.29Å; W192-Y201 HydrophobicContact CZ3-CD2 4.1Å; W192-Y201 HydrophobicContact CZ3-CE2 4.05Å; W192-Y201 PolarHBondContact N-O 2.86Å; W192-Y201 PolarHBondContact O-N 3.09Å; W192-L203 HydrophobicContact CB-CD1 4.32Å; W192-I206 HydrophobicContact CB-CG2 3.76Å; W192-I206 HydrophobicContact CD2-CG1 4.2Å; W192-I206 HydrophobicContact CD2-CG2 4.44Å; W192-I206 HydrophobicContact CE3-CD1 4.17Å; W192-I206 HydrophobicContact CE3-CG1 3.77Å; W192-I206 HydrophobicContact CG-CG2 4.09Å; W192-I206 HydrophobicContact CZ3-CD1 4.19Å; W192-I206 HydrophobicContact CZ3-CG1 4.15Å; W192-W227 HydrophobicContact CE3-CH2 4.43Å; W192-W227 AromaticContact CH2-CH2 3.5Å; W192-W227 HydrophobicContact CH2-CH2 3.5Å; W192-W227 HydrophobicContact CH2-CZ2 4.21Å; W192-W227 HydrophobicContact CH2-CZ3 4.37Å; W192-W227 AromaticContact CZ2-CH2 3.64Å; W192-W227 HydrophobicContact CZ2-CH2 3.64Å; W192-W227 AromaticContact CZ2-CZ2 3.9Å; W192-W227 HydrophobicContact CZ2-CZ2 3.9Å; W192-W227 AromaticContact CZ3-CH2 3.93Å; W192-W227 HydrophobicContact CZ3-CH2 3.93Å; W192-Y236 HydrophobicContact CH2-CD2 4.08Å; W192-Y236 AromaticContact CH2-CE2 3.69Å; W192-Y236 HydrophobicContact CH2-CE2 3.69Å; W192-Y236 HydrophobicContact CZ2-CD2 4.21Å; W192-Y236 HydrophobicContact CZ2-CE2 4.04Å; W192-L242 PolarHBondContact NE1-O 2.89Å
193	S	91.5	Very high	90.4	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.1	179.8	63.7	0	0	0	0	111.5	A195 H199	S193-A195 PolarHBondContact O-N 2.87Å; S193-H199 WeakPolarHBondContact CA-O 3.42Å
194	C	89.4	Confident	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.			trans	-67.2	130.6	178.9	-179.9	0	0	0	0	112.1	W192 T196 Y198 H199 Y236	W192-C194 HydrophobicContact CH2-CB 3.92Å; W192-C194 HydrophobicContact CZ3-CB 3.8Å; C194-T196 VanDerWaalsContact C-N 3.27Å; C194-T196 PolarHBondContact O-N 2.96Å; C194-T196 PolarHBondContact SG-OG1 3.02Å; C194-Y198 WeakPolarHBondContact O-CA 3.35Å; C194-Y198 PolarHBondContact O-N 3.1Å; C194-H199 PolarHBondContact N-O 2.95Å; C194-Y236 PolarHBondContact SG-OH 3.45Å
195	A	84.3	Confident	90.6	Very high	66 Å²	66	39.9 Å²	39.9	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.7	-176.6	0	0	0	0	0	114.9	S193 Y236	S193-A195 PolarHBondContact O-N 2.87Å; A195-Y236 HydrophobicContact CB-CE1 4.47Å; A195-Y236 PolarHBondContact N-OH 2.97Å
196	T	84.8	Confident	90.6	Very high	71 Å²	71	39.9 Å²	39.9	44%	0.436	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-42.3	-179.7	51.9	0	0	0	0	113.6	C194 Y198 C232 T234	C194-T196 VanDerWaalsContact C-N 3.27Å; C194-T196 PolarHBondContact O-N 2.96Å; C194-T196 PolarHBondContact SG-OG1 3.02Å; T196-Y198 WeakPolarHBondContact O-CE2 3.35Å; T196-C232 PolarHBondContact OG1-SG 3.24Å; T196-T234 HydrophobicContact CG2-CG2 3.75Å; T196-T234 WeakPolarHBondContact OG1-CB 3.34Å; T196-T234 PolarHBondContact OG1-OG1 2.86Å
197	C	89	Confident	90.8	Very high	28 Å²	28	37.7 Å²	37.7	19%	0.189	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0.9	179.7	77.8	0	0	0	0	114.6	H199 C232	C197-H199 PolarHBondContact O-N 3.39Å; C197-H199 PolarHBondContact O-ND1 2.88Å; C197-H199 PolarHBondContact SG-ND1 2.98Å; C197-C232 HydrophobicContact CB-CB 3.54Å; C197-C232 PolarHBondContact SG-SG 2.97Å
198	Y	91.3	Very high	90.9	Very high	41 Å²	41	39.8 Å²	39.8	16%	0.161	23%	0.234	C	C	.	.			trans	59.3	5.8	174	-48.4	-69.7	0	0	0	116.8	L163 C194 T196 G300 P301	L163-Y198 HydrophobicContact CD2-CD2 4.39Å; C194-Y198 WeakPolarHBondContact O-CA 3.35Å; C194-Y198 PolarHBondContact O-N 3.1Å; T196-Y198 WeakPolarHBondContact O-CE2 3.35Å; Y198-G300 WeakPolarHBondContact CE1-O 3.43Å; Y198-P301 HydrophobicContact CE2-CB 3.99Å; Y198-P301 HydrophobicContact CE2-CG 4.19Å
199	H	91.5	Very high	91.2	Very high	49 Å²	49	38.9 Å²	38.9	23%	0.227	22%	0.217	C	C	.	.			trans	-65.4	144.7	174.2	-73.7	56.4	0	0	0	111.5	S193 C194 C197 Y201 S231	S193-H199 WeakPolarHBondContact CA-O 3.42Å; C194-H199 PolarHBondContact N-O 2.95Å; C197-H199 PolarHBondContact O-N 3.39Å; C197-H199 PolarHBondContact O-ND1 2.88Å; C197-H199 PolarHBondContact SG-ND1 2.98Å; H199-Y201 HydrophobicContact CB-CE2 4Å; H199-S231 PolarHBondContact CD2-OG 2.86Å
200	I	93.5	Very high	91.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.8	-170.2	-48.7	-179.6	0	0	0	110.1	L167 L171 Y176 I185 I191 W192 F248	L167-I200 HydrophobicContact CD2-CD1 4.25Å; L171-I200 HydrophobicContact CD1-CD1 3.74Å; L171-I200 HydrophobicContact CD2-CD1 4.13Å; L171-I200 HydrophobicContact CG-CD1 4.23Å; Y176-I200 HydrophobicContact CD1-CB 4.34Å; Y176-I200 HydrophobicContact CE1-CB 3.74Å; Y176-I200 HydrophobicContact CE1-CG1 4.44Å; Y176-I200 WeakPolarHBondContact CE1-O 3.42Å; Y176-I200 PolarHBondContact OH-N 3.35Å; Y176-I200 VanDerWaalsContact OH-N 3.15Å; I185-I200 HydrophobicContact CD1-CB 4.14Å; I185-I200 HydrophobicContact CD1-CG2 3.76Å; I191-I200 HydrophobicContact CB-CG2 3.86Å; I191-I200 HydrophobicContact CD1-CG2 3.62Å; I191-I200 HydrophobicContact CG1-CG2 4.36Å; I191-I200 HydrophobicContact CG2-CG2 3.98Å; W192-I200 WeakPolarHBondContact O-CA 3.49Å; I200-F248 HydrophobicContact CD1-CE1 3.95Å; I200-F248 HydrophobicContact CD1-CZ 4.26Å
201	Y	94.4	Very high	90.8	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.6	-177.8	-50.5	-98.9	0	0	0	110.3	M179 I180 I191 W192 H199 L203 I206 C229 P230 S231	M179-Y201 HydrophobicContact CB-CE1 4.28Å; I180-Y201 HydrophobicContact CD1-CD1 3.5Å; I180-Y201 HydrophobicContact CD1-CE1 4.07Å; I180-Y201 HydrophobicContact CD1-CG 4.18Å; I180-Y201 HydrophobicContact CG1-CD1 3.78Å; I180-Y201 HydrophobicContact CG1-CE1 4.1Å; I191-Y201 CarbonylContact C-O 3.55Å; I191-Y201 VanDerWaalsContact CA-O 3.31Å; I191-Y201 WeakPolarHBondContact CA-O 3.1Å; W192-Y201 AromaticContact CE3-CD2 3.87Å; W192-Y201 HydrophobicContact CE3-CD2 3.87Å; W192-Y201 HydrophobicContact CE3-CE2 4.29Å; W192-Y201 HydrophobicContact CZ3-CD2 4.1Å; W192-Y201 HydrophobicContact CZ3-CE2 4.05Å; W192-Y201 PolarHBondContact N-O 2.86Å; W192-Y201 PolarHBondContact O-N 3.09Å; H199-Y201 HydrophobicContact CB-CE2 4Å; Y201-L203 PolarHBondContact O-N 3.41Å; Y201-I206 HydrophobicContact CD1-CD1 4.32Å; Y201-I206 HydrophobicContact CD2-CD1 4.06Å; Y201-I206 HydrophobicContact CE2-CD1 4.34Å; Y201-I206 HydrophobicContact CG-CD1 4.03Å; Y201-C229 PolarHBondContact OH-SG 2.8Å; Y201-P230 HydrophobicContact CD1-CG 4.48Å; Y201-P230 HydrophobicContact CE1-CB 3.93Å; Y201-P230 HydrophobicContact CE1-CG 3.65Å; Y201-P230 WeakPolarHBondContact OH-CD 3.3Å; Y201-S231 PolarHBondContact OH-N 3.43Å; Y201-S231 PolarHBondContact OH-OG 3.49Å
202	H	94.5	Very high	90.3	Very high	18 Å²	18	48.5 Å²	48.5	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	136	164.7	-65	100.4	0	0	0	110.6	C178 C181 E184 D189 S204 C205 I206	C178-H202 WeakPolarHBondContact CB-ND1 3.4Å; C178-H202 PolarHBondContact SG-N 3Å; C178-H202 VanDerWaalsContact SG-N 3.43Å; C181-H202 PolarHBondContact SG-ND1 3.31Å; C181-H202 VanDerWaalsContact SG-ND1 3.4Å; E184-H202 PolarHBondContact O-CE1 3.44Å; E184-H202 VanDerWaalsContact O-CE1 3.31Å; E184-H202 PolarHBondContact O-NE2 2.75Å; D189-H202 IonicContact OD2-CD2 3.82Å; D189-H202 PolarHBondContact OD2-CD2 3.11Å; D189-H202 IonicContact OD2-CE1 3.51Å; D189-H202 IonicContact OD2-NE2 3.69Å; D189-H202 PolarHBondContact OD2-NE2 3.13Å; H202-S204 VanDerWaalsContact C-N 3.25Å; H202-S204 PolarHBondContact O-N 3.24Å; H202-C205 HydrophobicContact CB-CB 4Å; H202-C205 WeakPolarHBondContact O-CB 3.34Å; H202-C205 PolarHBondContact O-N 2.81Å; H202-I206 PolarHBondContact O-N 2.87Å
203	L	93.2	Very high	89.6	Confident	16 Å²	16	48.6 Å²	48.6	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-37.8	-179.9	-173.6	74.3	0	0	0	111.7	P190 W192 Y201 R207 I243	P190-L203 HydrophobicContact CB-CB 4.06Å; P190-L203 HydrophobicContact CB-CD2 4.18Å; P190-L203 HydrophobicContact CG-CB 4.39Å; P190-L203 WeakPolarHBondContact O-CB 3.24Å; P190-L203 PolarHBondContact O-N 3.45Å; W192-L203 HydrophobicContact CB-CD1 4.32Å; Y201-L203 PolarHBondContact O-N 3.41Å; L203-R207 VanDerWaalsContact O-CB 3.26Å; L203-R207 WeakPolarHBondContact O-CB 3.35Å; L203-R207 WeakPolarHBondContact O-CD 3.41Å; L203-R207 WeakPolarHBondContact O-CG 3.25Å; L203-R207 PolarHBondContact O-N 3.15Å; L203-R207 VanDerWaalsContact O-N 3.08Å; L203-I243 HydrophobicContact CD1-CG2 4.34Å
204	S	92.6	Very high	88.6	Confident	74 Å²	74	48 Å²	48	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-44.6	173.3	52.5	0	0	0	0	112.4	H202 S208	H202-S204 VanDerWaalsContact C-N 3.25Å; H202-S204 PolarHBondContact O-N 3.24Å; S204-S208 WeakPolarHBondContact O-CB 3.47Å; S204-S208 PolarHBondContact O-N 3.45Å; S204-S208 PolarHBondContact O-OG 2.92Å
205	C	94	Very high	87.4	Confident	20 Å²	20	52 Å²	52	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-48.4	179.6	-68.9	0	0	0	0	112	I180 H202 R207 S208 W209	I180-C205 HydrophobicContact CB-CB 3.91Å; I180-C205 HydrophobicContact CD1-CB 4Å; I180-C205 HydrophobicContact CG2-CB 3.83Å; H202-C205 HydrophobicContact CB-CB 4Å; H202-C205 WeakPolarHBondContact O-CB 3.34Å; H202-C205 PolarHBondContact O-N 2.81Å; C205-R207 PolarHBondContact O-N 3.05Å; C205-S208 WeakPolarHBondContact O-CB 3.38Å; C205-S208 PolarHBondContact O-N 2.73Å; C205-S208 VanDerWaalsContact O-N 3.16Å; C205-W209 WeakPolarHBondContact O-CB 3.43Å; C205-W209 PolarHBondContact O-N 2.87Å
206	I	91.8	Very high	86.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-34.8	-179.3	-156.7	68.7	0	0	0	112	I180 W192 Y201 H202 S208 W209 A210 W227 P230 I243	I180-I206 HydrophobicContact CD1-CB 4.44Å; I180-I206 HydrophobicContact CD1-CD1 3.81Å; W192-I206 HydrophobicContact CB-CG2 3.76Å; W192-I206 HydrophobicContact CD2-CG1 4.2Å; W192-I206 HydrophobicContact CD2-CG2 4.44Å; W192-I206 HydrophobicContact CE3-CD1 4.17Å; W192-I206 HydrophobicContact CE3-CG1 3.77Å; W192-I206 HydrophobicContact CG-CG2 4.09Å; W192-I206 HydrophobicContact CZ3-CD1 4.19Å; W192-I206 HydrophobicContact CZ3-CG1 4.15Å; Y201-I206 HydrophobicContact CD1-CD1 4.32Å; Y201-I206 HydrophobicContact CD2-CD1 4.06Å; Y201-I206 HydrophobicContact CE2-CD1 4.34Å; Y201-I206 HydrophobicContact CG-CD1 4.03Å; H202-I206 PolarHBondContact O-N 2.87Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 2.84Å; I206-W209 PolarHBondContact O-N 2.77Å; I206-A210 WeakPolarHBondContact O-CB 3.38Å; I206-A210 PolarHBondContact O-N 2.74Å; I206-W227 HydrophobicContact CD1-CH2 3.99Å; I206-W227 HydrophobicContact CD1-CZ3 3.7Å; I206-W227 HydrophobicContact CG1-CH2 3.6Å; I206-W227 HydrophobicContact CG1-CZ3 3.75Å; I206-P230 HydrophobicContact CD1-CG 4.05Å; I206-I243 HydrophobicContact CG2-CG2 3.69Å
207	R	90.7	Very high	84.8	Confident	112 Å²	112	55.9 Å²	55.9	42%	0.423	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-36.5	172.2	-76.5	173.6	173.5	-176.6	-5	111.8	L203 C205 K211 I243	L203-R207 VanDerWaalsContact O-CB 3.26Å; L203-R207 WeakPolarHBondContact O-CB 3.35Å; L203-R207 WeakPolarHBondContact O-CD 3.41Å; L203-R207 WeakPolarHBondContact O-CG 3.25Å; L203-R207 PolarHBondContact O-N 3.15Å; L203-R207 VanDerWaalsContact O-N 3.08Å; C205-R207 PolarHBondContact O-N 3.05Å; R207-K211 WeakPolarHBondContact O-CB 3.38Å; R207-K211 VanDerWaalsContact O-CG 3.31Å; R207-K211 WeakPolarHBondContact O-CG 3.39Å; R207-K211 PolarHBondContact O-N 3.09Å; R207-I243 HydrophobicContact CG-CB 4.42Å; R207-I243 HydrophobicContact CG-CG2 3.54Å; R207-I243 PolarHBondContact NE-O 2.84Å; R207-I243 VanDerWaalsContact NE-O 3.1Å; R207-I243 PolarHBondContact NH2-O 2.75Å
208	S	89.2	Confident	82.8	Confident	66 Å²	66	58.6 Å²	58.6	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-72.5	-40.2	176.9	-57	0	0	0	0	111.8	S204 C205 I206 K212	S204-S208 WeakPolarHBondContact O-CB 3.47Å; S204-S208 PolarHBondContact O-N 3.45Å; S204-S208 PolarHBondContact O-OG 2.92Å; C205-S208 WeakPolarHBondContact O-CB 3.38Å; C205-S208 PolarHBondContact O-N 2.73Å; C205-S208 VanDerWaalsContact O-N 3.16Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 2.84Å; S208-K212 WeakPolarHBondContact O-CG 3.4Å; S208-K212 PolarHBondContact O-N 3.38Å
209	W	90.5	Very high	80.8	Confident	105 Å²	105	60.9 Å²	60.9	40%	0.398	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-49.5	172.8	177.8	-90.7	0	0	0	112.1	I180 C205 I206 K212 S213 R228 P230	I180-W209 HydrophobicContact CD1-CB 3.97Å; I180-W209 HydrophobicContact CD1-CG 4.4Å; C205-W209 WeakPolarHBondContact O-CB 3.43Å; C205-W209 PolarHBondContact O-N 2.87Å; I206-W209 PolarHBondContact O-N 2.77Å; W209-K212 PolarHBondContact O-N 2.96Å; W209-S213 PolarHBondContact O-N 2.9Å; W209-S213 PolarHBondContact O-OG 2.73Å; W209-R228 PolarHBondContact NE1-O 3.08Å; W209-P230 HydrophobicContact CD2-CG 3.89Å; W209-P230 HydrophobicContact CG-CG 4.07Å; W209-P230 HydrophobicContact CZ2-CB 4.18Å; W209-P230 HydrophobicContact CZ2-CG 4.17Å
210	A	88	Confident	78.8	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-53.8	176.3	0	0	0	0	0	110.3	I206 K212 S213 F214 W227 I243	I206-A210 WeakPolarHBondContact O-CB 3.38Å; I206-A210 PolarHBondContact O-N 2.74Å; A210-K212 VanDerWaalsContact C-N 3.31Å; A210-K212 PolarHBondContact O-N 3.44Å; A210-S213 WeakPolarHBondContact O-CB 3.35Å; A210-S213 PolarHBondContact O-N 3.29Å; A210-F214 HydrophobicContact CB-CE2 4.26Å; A210-F214 WeakPolarHBondContact O-CD2 3.31Å; A210-F214 VanDerWaalsContact O-CE2 3.27Å; A210-F214 WeakPolarHBondContact O-CE2 3.48Å; A210-F214 PolarHBondContact O-N 3.13Å; A210-W227 HydrophobicContact CB-CB 4.34Å; A210-W227 HydrophobicContact CB-CD2 3.8Å; A210-W227 HydrophobicContact CB-CE3 4.12Å; A210-W227 HydrophobicContact CB-CG 3.89Å; A210-I243 HydrophobicContact CB-CD1 3.73Å
211	K	84.8	Confident	76.6	Confident	150 Å²	150	71.7 Å²	71.7	65%	0.652	36%	0.357	S	S	*	.	H	α-helix	trans	-51.9	-44.3	176.7	-79.9	-177.4	175.3	-169.7	0	113.3	R207 F214 Q215	R207-K211 WeakPolarHBondContact O-CB 3.38Å; R207-K211 VanDerWaalsContact O-CG 3.31Å; R207-K211 WeakPolarHBondContact O-CG 3.39Å; R207-K211 PolarHBondContact O-N 3.09Å; K211-F214 PolarHBondContact O-N 3.42Å; K211-Q215 WeakPolarHBondContact O-CG 3.38Å; K211-Q215 PolarHBondContact O-N 3.1Å
212	K	84.4	Confident	74.7	Confident	139 Å²	139	80.3 Å²	80.3	60%	0.604	40%	0.403	S	S	*	.	H	α-helix	trans	-66.6	-40.1	176.4	-73.8	-175.5	176.2	-169.5	0	112.6	S208 W209 A210 F214 Q215 E216	S208-K212 WeakPolarHBondContact O-CG 3.4Å; S208-K212 PolarHBondContact O-N 3.38Å; W209-K212 PolarHBondContact O-N 2.96Å; A210-K212 VanDerWaalsContact C-N 3.31Å; A210-K212 PolarHBondContact O-N 3.44Å; K212-F214 PolarHBondContact O-N 3.1Å; K212-Q215 PolarHBondContact O-N 2.86Å; K212-E216 PolarHBondContact O-N 3.5Å
213	S	78.3	Confident	72.9	Confident	25 Å²	25	83 Å²	83	18%	0.175	42%	0.424	C	S	.	.	H	α-helix	trans	-56.3	-33.8	176.2	-56.9	0	0	0	0	112.7	W209 A210	W209-S213 PolarHBondContact O-N 2.9Å; W209-S213 PolarHBondContact O-OG 2.73Å; A210-S213 WeakPolarHBondContact O-CB 3.35Å; A210-S213 PolarHBondContact O-N 3.29Å
214	F	70.7	Confident	71.3	Confident	23 Å²	23	86.6 Å²	86.6	10%	0.101	45%	0.451	C	S	.	.	H	α-helix	trans	-75.6	-36	174.1	-65.3	-63	0	0	0	114	A210 K211 K212 E216 P225 V226 W227 L238	A210-F214 HydrophobicContact CB-CE2 4.26Å; A210-F214 WeakPolarHBondContact O-CD2 3.31Å; A210-F214 VanDerWaalsContact O-CE2 3.27Å; A210-F214 WeakPolarHBondContact O-CE2 3.48Å; A210-F214 PolarHBondContact O-N 3.13Å; K211-F214 PolarHBondContact O-N 3.42Å; K212-F214 PolarHBondContact O-N 3.1Å; F214-E216 PolarHBondContact O-N 2.74Å; F214-P225 HydrophobicContact CD1-CB 3.8Å; F214-P225 HydrophobicContact CE1-CB 3.51Å; F214-P225 HydrophobicContact CZ-CB 4.29Å; F214-V226 VanDerWaalsContact CE1-C 3.41Å; F214-V226 VanDerWaalsContact CE1-O 3.3Å; F214-V226 WeakPolarHBondContact CE1-O 3.42Å; F214-W227 HydrophobicContact CE1-CB 4.4Å; F214-W227 HydrophobicContact CE2-CB 3.75Å; F214-W227 HydrophobicContact CE2-CG 4.16Å; F214-W227 HydrophobicContact CZ-CB 3.52Å; F214-W227 AromaticContact CZ-CD1 3.81Å; F214-W227 HydrophobicContact CZ-CG 4.03Å; F214-L238 HydrophobicContact CD1-CD1 4.08Å; F214-L238 HydrophobicContact CD2-CD1 3.42Å; F214-L238 VanDerWaalsContact CD2-CD1 3.42Å; F214-L238 HydrophobicContact CD2-CG 3.88Å; F214-L238 HydrophobicContact CE1-CD1 4.01Å; F214-L238 HydrophobicContact CE1-CG 4.36Å; F214-L238 HydrophobicContact CE2-CB 4.2Å; F214-L238 HydrophobicContact CE2-CD1 3.37Å; F214-L238 HydrophobicContact CE2-CD2 4.27Å; F214-L238 HydrophobicContact CE2-CG 3.31Å; F214-L238 HydrophobicContact CG-CD1 3.81Å; F214-L238 HydrophobicContact CZ-CB 3.94Å; F214-L238 HydrophobicContact CZ-CD1 3.65Å; F214-L238 HydrophobicContact CZ-CG 3.56Å
215	Q	64	Low	69.9	Low	85 Å²	85	85.8 Å²	85.8	40%	0.397	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-25.8	178	-70.5	179.7	-43.1	0	0	111.7	R31 S32 A33 K211 K212	R31-Q215 VanDerWaalsContact CA-O 3.26Å; R31-Q215 WeakPolarHBondContact CA-O 3.47Å; R31-Q215 WeakPolarHBondContact CG-O 3.28Å; S32-Q215 WeakPolarHBondContact CA-O 3.39Å; S32-Q215 PolarHBondContact OG-O 3.47Å; A33-Q215 HydrophobicContact CB-CG 4.1Å; K211-Q215 WeakPolarHBondContact O-CG 3.38Å; K211-Q215 PolarHBondContact O-N 3.1Å; K212-Q215 PolarHBondContact O-N 2.86Å
216	E	59.5	Low	69.3	Low	97 Å²	97	88.2 Å²	88.2	45%	0.453	46%	0.458	S	S	.	.	H	α-helix	trans	-93.8	-20.9	-176.7	-59.8	-165.6	131.3	0	0	114.8	S30 R31 K212 F214	S30-E216 WeakPolarHBondContact CA-O 3.48Å; R31-E216 IonicContact CZ-OE1 3.49Å; R31-E216 PolarHBondContact N-O 3.39Å; R31-E216 IonicContact NE-OE1 3.29Å; R31-E216 IonicContact NH2-OE1 3.49Å; R31-E216 PolarHBondContact NH2-OE1 3.33Å; K212-E216 PolarHBondContact O-N 3.5Å; F214-E216 PolarHBondContact O-N 2.74Å
217	H	54.8	Low	69	Low	122 Å²	122	88.3 Å²	88.3	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-110.3	-11.8	-169.1	-91.2	-56.1	0	0	0	117.7	I219 R228	H217-I219 PolarHBondContact O-N 3.42Å; H217-R228 PolarHBondContact NE2-NH1 3.31Å; H217-R228 VanDerWaalsContact NE2-NH1 3.19Å
218	N	46.7	Very low	69	Low	84 Å²	84	88.8 Å²	88.8	45%	0.449	46%	0.46	S	S	.	.			trans	-93	87.3	179.7	-78.6	28.4	0	0	0	112.4
219	I	50.5	Low	69	Low	90 Å²	90	85.8 Å²	85.8	46%	0.462	44%	0.439	S	S	.	.	S	Bend	trans	-121.6	132.4	145.3	-68.1	-178.8	0	0	0	105.3	S30 R31 H217	S30-I219 VanDerWaalsContact O-CD1 3.3Å; S30-I219 WeakPolarHBondContact O-CD1 3.15Å; R31-I219 VanDerWaalsContact O-CD1 3.3Å; R31-I219 WeakPolarHBondContact O-CD1 3.43Å; R31-I219 WeakPolarHBondContact O-CG1 3.34Å; H217-I219 PolarHBondContact O-N 3.42Å
220	E	48.1	Very low	69	Low	179 Å²	179	82.5 Å²	82.5	84%	0.836	43%	0.431	S	S	*	.	S	Bend	trans	54.8	84.6	169.5	-67	161.8	-142.8	0	0	117.8
221	S	48.7	Very low	69.1	Low	98 Å²	98	84.4 Å²	84.4	69%	0.685	44%	0.444	S	S	*	.			trans	165.9	148.7	137.4	45.8	0	0	0	0	113.3	S223	S221-S223 PolarHBondContact O-N 3.06Å
222	D	53.4	Low	69.4	Low	182 Å²	182	79.3 Å²	79.3	97%	0.973	43%	0.427	S	S	*	.			trans	-71.4	43.4	176.7	-71.2	-55.9	0	0	0	114.4
223	S	57.6	Low	69.5	Low	75 Å²	75	79.7 Å²	79.7	52%	0.524	43%	0.431	S	S	.	.			trans	-90.3	138.7	174.7	60.8	0	0	0	0	111.3	S221	S221-S223 PolarHBondContact O-N 3.06Å
224	S	58.8	Low	69.9	Low	92 Å²	92	80.3 Å²	80.3	64%	0.643	43%	0.434	S	S	*	.			trans	-63	138.8	178	55	0	0	0	0	110.3	V226	S224-V226 PolarHBondContact O-N 3.12Å
225	P	64.3	Low	70.5	Confident	56 Å²	56	83.6 Å²	83.6	36%	0.364	46%	0.456	S	S	.	.			trans	-70.5	110.4	-166.6	25.3	-33.9	0	0	0	111.8	F214 L238	F214-P225 HydrophobicContact CD1-CB 3.8Å; F214-P225 HydrophobicContact CE1-CB 3.51Å; F214-P225 HydrophobicContact CZ-CB 4.29Å; P225-L238 HydrophobicContact CB-CB 4.24Å; P225-L238 HydrophobicContact CB-CD1 4.05Å; P225-L238 HydrophobicContact CG-CB 4.01Å; P225-L238 HydrophobicContact CG-CD1 4.21Å; P225-L238 PolarHBondContact O-N 2.78Å
226	V	80.7	Confident	71.4	Confident	72 Å²	72	81 Å²	81	44%	0.436	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136	177.2	170.1	0	0	0	0	112.1	F214 S224 T235 Y236	F214-V226 VanDerWaalsContact CE1-C 3.41Å; F214-V226 VanDerWaalsContact CE1-O 3.3Å; F214-V226 WeakPolarHBondContact CE1-O 3.42Å; S224-V226 PolarHBondContact O-N 3.12Å; V226-T235 HydrophobicContact CG1-CG2 3.68Å; V226-Y236 CarbonylContact C-O 3.47Å; V226-Y236 VanDerWaalsContact CA-O 3.3Å; V226-Y236 WeakPolarHBondContact CA-O 3.17Å
227	W	85.9	Confident	72.3	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.008	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	167.9	168.9	63.5	-72.6	0	0	0	111.3	W192 I206 A210 F214 T235 Y236 D237 I243	W192-W227 HydrophobicContact CE3-CH2 4.43Å; W192-W227 AromaticContact CH2-CH2 3.5Å; W192-W227 HydrophobicContact CH2-CH2 3.5Å; W192-W227 HydrophobicContact CH2-CZ2 4.21Å; W192-W227 HydrophobicContact CH2-CZ3 4.37Å; W192-W227 AromaticContact CZ2-CH2 3.64Å; W192-W227 HydrophobicContact CZ2-CH2 3.64Å; W192-W227 AromaticContact CZ2-CZ2 3.9Å; W192-W227 HydrophobicContact CZ2-CZ2 3.9Å; W192-W227 AromaticContact CZ3-CH2 3.93Å; W192-W227 HydrophobicContact CZ3-CH2 3.93Å; I206-W227 HydrophobicContact CD1-CH2 3.99Å; I206-W227 HydrophobicContact CD1-CZ3 3.7Å; I206-W227 HydrophobicContact CG1-CH2 3.6Å; I206-W227 HydrophobicContact CG1-CZ3 3.75Å; A210-W227 HydrophobicContact CB-CB 4.34Å; A210-W227 HydrophobicContact CB-CD2 3.8Å; A210-W227 HydrophobicContact CB-CE3 4.12Å; A210-W227 HydrophobicContact CB-CG 3.89Å; F214-W227 HydrophobicContact CE1-CB 4.4Å; F214-W227 HydrophobicContact CE2-CB 3.75Å; F214-W227 HydrophobicContact CE2-CG 4.16Å; F214-W227 HydrophobicContact CZ-CB 3.52Å; F214-W227 AromaticContact CZ-CD1 3.81Å; F214-W227 HydrophobicContact CZ-CG 4.03Å; W227-T235 WeakPolarHBondContact O-CA 3.27Å; W227-Y236 HydrophobicContact CH2-CD2 4.23Å; W227-Y236 HydrophobicContact CZ2-CD2 4.13Å; W227-Y236 HydrophobicContact CZ2-CG 4.18Å; W227-Y236 PolarHBondContact N-O 2.96Å; W227-Y236 PolarHBondContact O-N 2.87Å; W227-D237 PolarHBondContact NE1-O 2.81Å; W227-I243 HydrophobicContact CZ2-CD1 3.87Å; W227-I243 HydrophobicContact CZ2-CG1 3.99Å
228	R	89.8	Confident	72.8	Confident	122 Å²	122	77.2 Å²	77.2	46%	0.46	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	-177.2	-58.8	-176.7	-168.8	98.8	3.1	111.6	W209 H217 T234 T235	W209-R228 PolarHBondContact NE1-O 3.08Å; H217-R228 PolarHBondContact NE2-NH1 3.31Å; H217-R228 VanDerWaalsContact NE2-NH1 3.19Å; R228-T234 WeakPolarHBondContact CA-O 3.3Å; R228-T235 HydrophobicContact CG-CG2 4.39Å
229	C	89.5	Confident	73.7	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.014	42%	0.419	C	S	.	.			trans	-61.4	132.1	173.7	178.7	0	0	0	0	111.4	Y201 S231 C232 Q233 T234 Y236	Y201-C229 PolarHBondContact OH-SG 2.8Å; C229-S231 PolarHBondContact O-N 3.31Å; C229-C232 VanDerWaalsContact SG-SG 3.61Å; C229-Q233 VanDerWaalsContact O-CA 3.31Å; C229-Q233 WeakPolarHBondContact O-CA 3.12Å; C229-Q233 PolarHBondContact O-N 3.24Å; C229-T234 PolarHBondContact N-O 2.91Å; C229-Y236 HydrophobicContact CB-CE2 4.11Å
230	P	89.9	Confident	73.9	Confident	37 Å²	37	75.7 Å²	75.7	24%	0.24	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-47	-178.2	-24.8	29.1	0	0	0	114.9	I180 Y201 I206 W209	I180-P230 HydrophobicContact CD1-CG 4.1Å; I180-P230 HydrophobicContact CG1-CG 4.2Å; Y201-P230 HydrophobicContact CD1-CG 4.48Å; Y201-P230 HydrophobicContact CE1-CB 3.93Å; Y201-P230 HydrophobicContact CE1-CG 3.65Å; Y201-P230 WeakPolarHBondContact OH-CD 3.3Å; I206-P230 HydrophobicContact CD1-CG 4.05Å; W209-P230 HydrophobicContact CD2-CG 3.89Å; W209-P230 HydrophobicContact CG-CG 4.07Å; W209-P230 HydrophobicContact CZ2-CB 4.18Å; W209-P230 HydrophobicContact CZ2-CG 4.17Å
231	S	90.1	Very high	74.4	Confident	41 Å²	41	73.9 Å²	73.9	29%	0.287	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-26.8	-173.4	-49.7	0	0	0	0	115.5	M179 H199 Y201 C229	M179-S231 PolarHBondContact SD-OG 3.38Å; H199-S231 PolarHBondContact CD2-OG 2.86Å; Y201-S231 PolarHBondContact OH-N 3.43Å; Y201-S231 PolarHBondContact OH-OG 3.49Å; C229-S231 PolarHBondContact O-N 3.31Å
232	C	90.8	Very high	75.1	Confident	43 Å²	43	72.5 Å²	72.5	29%	0.291	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	3	-170.3	71.5	0	0	0	0	115	T196 C197 C229 T234	T196-C232 PolarHBondContact OG1-SG 3.24Å; C197-C232 HydrophobicContact CB-CB 3.54Å; C197-C232 PolarHBondContact SG-SG 2.97Å; C229-C232 VanDerWaalsContact SG-SG 3.61Å; C232-T234 PolarHBondContact O-N 3.1Å; C232-T234 PolarHBondContact SG-OG1 2.93Å
233	Q	87.1	Confident	76.5	Confident	147 Å²	147	64.2 Å²	64.2	69%	0.687	36%	0.362	S	S	*	.			trans	58	5.1	178.6	-49.8	-175.2	21	0	0	116.1	C229 T235	C229-Q233 VanDerWaalsContact O-CA 3.31Å; C229-Q233 WeakPolarHBondContact O-CA 3.12Å; C229-Q233 PolarHBondContact O-N 3.24Å; Q233-T235 PolarHBondContact O-N 2.98Å
234	T	86.4	Confident	77.8	Confident	38 Å²	38	61.7 Å²	61.7	23%	0.233	35%	0.345	C	S	.	.			trans	-54.3	130	175.7	-66.7	0	0	0	0	110.3	T196 R228 C229 C232 Y236	T196-T234 HydrophobicContact CG2-CG2 3.75Å; T196-T234 WeakPolarHBondContact OG1-CB 3.34Å; T196-T234 PolarHBondContact OG1-OG1 2.86Å; R228-T234 WeakPolarHBondContact CA-O 3.3Å; C229-T234 PolarHBondContact N-O 2.91Å; C232-T234 PolarHBondContact O-N 3.1Å; C232-T234 PolarHBondContact SG-OG1 2.93Å; T234-Y236 HydrophobicContact CG2-CD2 4.38Å; T234-Y236 HydrophobicContact CG2-CE1 4.39Å; T234-Y236 HydrophobicContact CG2-CE2 3.7Å; T234-Y236 WeakPolarHBondContact O-CD2 3.42Å
235	T	84.3	Confident	79.4	Confident	91 Å²	91	58.4 Å²	58.4	56%	0.558	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.9	-179.2	46.7	0	0	0	0	112	V226 W227 R228 Q233	V226-T235 HydrophobicContact CG1-CG2 3.68Å; W227-T235 WeakPolarHBondContact O-CA 3.27Å; R228-T235 HydrophobicContact CG-CG2 4.39Å; Q233-T235 PolarHBondContact O-N 2.98Å
236	Y	82.8	Confident	80.6	Confident	32 Å²	32	59.1 Å²	59.1	13%	0.125	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.1	174.3	-68.3	-74.9	0	0	0	110	W192 C194 A195 V226 W227 C229 T234 L242	W192-Y236 HydrophobicContact CH2-CD2 4.08Å; W192-Y236 AromaticContact CH2-CE2 3.69Å; W192-Y236 HydrophobicContact CH2-CE2 3.69Å; W192-Y236 HydrophobicContact CZ2-CD2 4.21Å; W192-Y236 HydrophobicContact CZ2-CE2 4.04Å; C194-Y236 PolarHBondContact SG-OH 3.45Å; A195-Y236 HydrophobicContact CB-CE1 4.47Å; A195-Y236 PolarHBondContact N-OH 2.97Å; V226-Y236 CarbonylContact C-O 3.47Å; V226-Y236 VanDerWaalsContact CA-O 3.3Å; V226-Y236 WeakPolarHBondContact CA-O 3.17Å; W227-Y236 HydrophobicContact CH2-CD2 4.23Å; W227-Y236 HydrophobicContact CZ2-CD2 4.13Å; W227-Y236 HydrophobicContact CZ2-CG 4.18Å; W227-Y236 PolarHBondContact N-O 2.96Å; W227-Y236 PolarHBondContact O-N 2.87Å; C229-Y236 HydrophobicContact CB-CE2 4.11Å; T234-Y236 HydrophobicContact CG2-CD2 4.38Å; T234-Y236 HydrophobicContact CG2-CE1 4.39Å; T234-Y236 HydrophobicContact CG2-CE2 3.7Å; T234-Y236 WeakPolarHBondContact O-CD2 3.42Å; Y236-L242 HydrophobicContact CD1-CD2 4Å
237	D	77.1	Confident	81.1	Confident	65 Å²	65	56 Å²	56	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	165.2	171.7	64	70.8	0	0	0	112.4	W227 S239 L242	W227-D237 PolarHBondContact NE1-O 2.81Å; D237-S239 PolarHBondContact O-N 3.38Å; D237-S239 WeakPolarHBondContact OD1-CA 3.07Å; D237-S239 WeakPolarHBondContact OD1-CB 3.16Å; D237-S239 PolarHBondContact OD1-N 3.13Å; D237-L242 WeakPolarHBondContact OD2-CD2 3.16Å
238	L	67.2	Low	81.3	Confident	73 Å²	73	56.5 Å²	56.5	38%	0.382	30%	0.297	S	S	.	.			trans	-80.6	11.9	177.4	-138.7	176.3	0	0	0	113.9	F214 P225 P240	F214-L238 HydrophobicContact CD1-CD1 4.08Å; F214-L238 HydrophobicContact CD2-CD1 3.42Å; F214-L238 VanDerWaalsContact CD2-CD1 3.42Å; F214-L238 HydrophobicContact CD2-CG 3.88Å; F214-L238 HydrophobicContact CE1-CD1 4.01Å; F214-L238 HydrophobicContact CE1-CG 4.36Å; F214-L238 HydrophobicContact CE2-CB 4.2Å; F214-L238 HydrophobicContact CE2-CD1 3.37Å; F214-L238 HydrophobicContact CE2-CD2 4.27Å; F214-L238 HydrophobicContact CE2-CG 3.31Å; F214-L238 HydrophobicContact CG-CD1 3.81Å; F214-L238 HydrophobicContact CZ-CB 3.94Å; F214-L238 HydrophobicContact CZ-CD1 3.65Å; F214-L238 HydrophobicContact CZ-CG 3.56Å; P225-L238 HydrophobicContact CB-CB 4.24Å; P225-L238 HydrophobicContact CB-CD1 4.05Å; P225-L238 HydrophobicContact CG-CB 4.01Å; P225-L238 HydrophobicContact CG-CD1 4.21Å; P225-L238 PolarHBondContact O-N 2.78Å; L238-P240 WeakPolarHBondContact O-CD 3.19Å
239	S	64.1	Low	81.2	Confident	36 Å²	36	51.2 Å²	51.2	25%	0.252	28%	0.279	S	S	.	.			trans	-59.5	127.3	-177.8	-177.1	0	0	0	0	110.2	D237 Q241 L242 I243	D237-S239 PolarHBondContact O-N 3.38Å; D237-S239 WeakPolarHBondContact OD1-CA 3.07Å; D237-S239 WeakPolarHBondContact OD1-CB 3.16Å; D237-S239 PolarHBondContact OD1-N 3.13Å; S239-Q241 PolarHBondContact O-N 3.29Å; S239-Q241 WeakPolarHBondContact OG-CB 3.32Å; S239-Q241 PolarHBondContact OG-N 3.15Å; S239-L242 PolarHBondContact O-N 3.18Å; S239-I243 PolarHBondContact O-N 3.27Å
240	P	56	Low	80.9	Confident	106 Å²	106	52.8 Å²	52.8	69%	0.688	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.8	175.8	25.9	-33.9	0	0	0	112.1	L238	L238-P240 WeakPolarHBondContact O-CD 3.19Å
241	Q	57.6	Low	80.6	Confident	142 Å²	142	56.3 Å²	56.3	66%	0.664	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.2	170.5	-51.4	-167.8	27.2	0	0	112.6	S239 S244	S239-Q241 PolarHBondContact O-N 3.29Å; S239-Q241 WeakPolarHBondContact OG-CB 3.32Å; S239-Q241 PolarHBondContact OG-N 3.15Å; Q241-S244 PolarHBondContact O-OG 3.17Å
242	L	64.5	Low	80.4	Confident	69 Å²	69	58 Å²	58	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.3	178.7	-98.8	76	0	0	0	112.8	W192 Y236 D237 S239 S244	W192-L242 PolarHBondContact NE1-O 2.89Å; Y236-L242 HydrophobicContact CD1-CD2 4Å; D237-L242 WeakPolarHBondContact OD2-CD2 3.16Å; S239-L242 PolarHBondContact O-N 3.18Å; L242-S244 PolarHBondContact O-N 2.92Å
243	I	81.9	Confident	80.2	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-98.6	58	178.1	-36.7	-177	0	0	0	110.8	L203 I206 R207 A210 W227 S239	L203-I243 HydrophobicContact CD1-CG2 4.34Å; I206-I243 HydrophobicContact CG2-CG2 3.69Å; R207-I243 HydrophobicContact CG-CB 4.42Å; R207-I243 HydrophobicContact CG-CG2 3.54Å; R207-I243 PolarHBondContact NE-O 2.84Å; R207-I243 VanDerWaalsContact NE-O 3.1Å; R207-I243 PolarHBondContact NH2-O 2.75Å; A210-I243 HydrophobicContact CB-CD1 3.73Å; W227-I243 HydrophobicContact CZ2-CD1 3.87Å; W227-I243 HydrophobicContact CZ2-CG1 3.99Å; S239-I243 PolarHBondContact O-N 3.27Å
244	S	84.9	Confident	80	Confident	22 Å²	22	60.9 Å²	60.9	15%	0.154	32%	0.319	C	S	.	.	S	Bend	trans	-122.5	144.3	177.8	59.9	0	0	0	0	111.9	Q241 L242 R246	Q241-S244 PolarHBondContact O-OG 3.17Å; L242-S244 PolarHBondContact O-N 2.92Å; S244-R246 PolarHBondContact O-N 3.27Å; S244-R246 PolarHBondContact OG-NE 3.25Å
245	Y	91.5	Very high	80	Confident	22 Å²	22	59.4 Å²	59.4	9%	0.086	31%	0.31	C	S	.	.			trans	-72.2	120.4	175.7	174.4	-141.3	0	0	0	109.6	P190 I191 K253 N254 P255 H266	P190-Y245 HydrophobicContact CB-CD1 3.8Å; P190-Y245 HydrophobicContact CB-CE1 4.34Å; P190-Y245 HydrophobicContact CB-CG 4.01Å; I191-Y245 HydrophobicContact CG1-CD2 3.85Å; I191-Y245 HydrophobicContact CG1-CE2 3.61Å; I191-Y245 VanDerWaalsContact N-CD2 3.32Å; I191-Y245 WeakPolarHBondContact O-CD2 3.26Å; Y245-K253 WeakPolarHBondContact O-CA 3.42Å; Y245-N254 HydrophobicContact CD1-CB 4.23Å; Y245-N254 HydrophobicContact CE1-CB 4.5Å; Y245-N254 PolarHBondContact O-N 3.19Å; Y245-P255 HydrophobicContact CE1-CG 4.41Å; Y245-P255 HydrophobicContact CE2-CG 3.82Å; Y245-P255 PolarHBondContact OH-O 3.37Å; Y245-H266 HydrophobicContact CE2-CB 4.11Å; Y245-H266 AromaticContact CE2-ND1 3.79Å; Y245-H266 AromaticContact CZ-ND1 3.77Å; Y245-H266 PolarHBondContact OH-ND1 3.3Å
246	R	90.5	Very high	79.6	Confident	72 Å²	72	62 Å²	62	27%	0.272	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-146.8	161.7	-174.7	-71.2	173	176.8	-98.7	9.5	109.7	S244 G250 I252 K253	S244-R246 PolarHBondContact O-N 3.27Å; S244-R246 PolarHBondContact OG-NE 3.25Å; R246-G250 WeakPolarHBondContact CD-O 3.23Å; R246-G250 PolarHBondContact NH1-O 2.82Å; R246-I252 CarbonylContact C-O 3.56Å; R246-I252 WeakPolarHBondContact CA-O 3.46Å; R246-I252 WeakPolarHBondContact CB-O 3.28Å; R246-K253 HydrophobicContact CG-CG 4.22Å
247	C	90.9	Very high	79	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.034	32%	0.323	C	S	.	.			trans	-52.8	154.8	165	65.4	0	0	0	0	111.1	C249 G250 R251 I252 H266 C268	C247-C249 HydrophobicContact CB-CB 4.21Å; C247-C249 WeakPolarHBondContact CB-SG 3.21Å; C247-C249 PolarHBondContact O-N 3.38Å; C247-C249 WeakPolarHBondContact SG-CA 3.29Å; C247-C249 WeakPolarHBondContact SG-CB 3.21Å; C247-C249 PolarHBondContact SG-N 3.03Å; C247-C249 VanDerWaalsContact SG-N 3.4Å; C247-C249 CovalentContact SG-SG 2.06Å; C247-C249 PolarHBondContact SG-SG 2.68Å; C247-G250 PolarHBondContact O-N 3.19Å; C247-G250 PolarHBondContact SG-N 3.08Å; C247-R251 PolarHBondContact SG-N 3.34Å; C247-I252 PolarHBondContact N-O 2.9Å; C247-I252 PolarHBondContact SG-N 3.43Å; C247-I252 VanDerWaalsContact SG-N 3.41Å; C247-H266 WeakPolarHBondContact CA-O 3.27Å; C247-C268 HydrophobicContact CB-CB 3.83Å
248	F	89.9	Confident	78.5	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.057	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.6	167.6	-54.1	-64.7	0	0	0	112.4	L171 I191 I200 G250 I264 P265 H266 K274 H298 P299	L171-F248 HydrophobicContact CD1-CE2 4.5Å; L171-F248 HydrophobicContact CD1-CZ 3.77Å; I191-F248 HydrophobicContact CD1-CE1 3.85Å; I191-F248 HydrophobicContact CD1-CZ 4.13Å; I200-F248 HydrophobicContact CD1-CE1 3.95Å; I200-F248 HydrophobicContact CD1-CZ 4.26Å; F248-G250 VanDerWaalsContact C-N 3.3Å; F248-G250 PolarHBondContact O-N 3.14Å; F248-I264 HydrophobicContact CE2-CG2 4.07Å; F248-P265 VanDerWaalsContact CE2-O 3.25Å; F248-P265 WeakPolarHBondContact CE2-O 3.42Å; F248-H266 HydrophobicContact CE2-CB 4.34Å; F248-H266 HydrophobicContact CZ-CB 4.13Å; F248-K274 WeakPolarHBondContact O-CE 3.38Å; F248-K274 PolarHBondContact O-NZ 3.49Å; F248-H298 WeakPolarHBondContact CB-O 3.48Å; F248-P299 HydrophobicContact CD1-CB 4.18Å; F248-P299 HydrophobicContact CD2-CB 4.21Å; F248-P299 HydrophobicContact CE1-CB 4.07Å; F248-P299 HydrophobicContact CE2-CB 4.1Å; F248-P299 HydrophobicContact CE2-CG 4.41Å; F248-P299 HydrophobicContact CG-CB 4.26Å; F248-P299 HydrophobicContact CZ-CB 4.04Å
249	C	87.2	Confident	78.3	Confident	12 Å²	12	65.4 Å²	65.4	8%	0.081	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.7	174.6	76.3	0	0	0	0	116.1	C247 R251 C268 C297	C247-C249 HydrophobicContact CB-CB 4.21Å; C247-C249 WeakPolarHBondContact CB-SG 3.21Å; C247-C249 PolarHBondContact O-N 3.38Å; C247-C249 WeakPolarHBondContact SG-CA 3.29Å; C247-C249 WeakPolarHBondContact SG-CB 3.21Å; C247-C249 PolarHBondContact SG-N 3.03Å; C247-C249 VanDerWaalsContact SG-N 3.4Å; C247-C249 CovalentContact SG-SG 2.06Å; C247-C249 PolarHBondContact SG-SG 2.68Å; C249-R251 PolarHBondContact O-N 3.4Å; C249-R251 VanDerWaalsContact O-N 3.12Å; C249-C268 PolarHBondContact SG-SG 2.05Å; C249-C297 HydrophobicContact CB-CB 4.05Å; C249-C297 VanDerWaalsContact CB-SG 3.57Å; C249-C297 PolarHBondContact N-SG 3.49Å
250	G	84.7	Confident	77.8	Confident	34 Å²	34	68.8 Å²	68.8	35%	0.351	37%	0.368	S	S	.	.	S	Bend	trans	73	-22.2	-173.1	0	0	0	0	0	116.8	R246 C247 F248	R246-G250 WeakPolarHBondContact CD-O 3.23Å; R246-G250 PolarHBondContact NH1-O 2.82Å; C247-G250 PolarHBondContact O-N 3.19Å; C247-G250 PolarHBondContact SG-N 3.08Å; F248-G250 VanDerWaalsContact C-N 3.3Å; F248-G250 PolarHBondContact O-N 3.14Å
251	R	84	Confident	78	Confident	112 Å²	112	71.6 Å²	71.6	42%	0.423	37%	0.365	S	S	.	.	S	Bend	trans	-64.8	-67.9	-175.2	-57.7	-168.1	-160.6	133.8	19.7	114.5	C247 C249 V271 C272 N273	C247-R251 PolarHBondContact SG-N 3.34Å; C249-R251 PolarHBondContact O-N 3.4Å; C249-R251 VanDerWaalsContact O-N 3.12Å; R251-V271 PolarHBondContact NH1-O 3.01Å; R251-V271 PolarHBondContact NH2-O 2.9Å; R251-C272 PolarHBondContact NH2-O 2.75Å; R251-N273 PolarHBondContact NH2-OD1 2.89Å
252	I	85.4	Confident	78	Confident	75 Å²	75	73 Å²	73	39%	0.385	37%	0.373	S	S	.	.	S	Bend	trans	-78.1	125.4	-173.8	-57.4	-156.5	0	0	0	108.7	R246 C247 C268	R246-I252 CarbonylContact C-O 3.56Å; R246-I252 WeakPolarHBondContact CA-O 3.46Å; R246-I252 WeakPolarHBondContact CB-O 3.28Å; C247-I252 PolarHBondContact N-O 2.9Å; C247-I252 PolarHBondContact SG-N 3.43Å; C247-I252 VanDerWaalsContact SG-N 3.41Å; I252-C268 HydrophobicContact CB-CB 4.17Å; I252-C268 HydrophobicContact CD1-CB 3.84Å; I252-C268 HydrophobicContact CG1-CB 4Å
253	K	86.1	Confident	78.2	Confident	139 Å²	139	70 Å²	70	60%	0.604	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-80.2	143.4	165.4	-63.5	176.3	-177.6	174.1	0	108.4	Y245 R246	Y245-K253 WeakPolarHBondContact O-CA 3.42Å; R246-K253 HydrophobicContact CG-CG 4.22Å
254	N	83.9	Confident	78.3	Confident	112 Å²	112	70.4 Å²	70.4	60%	0.599	36%	0.36	S	S	*	.	S	Bend	trans	47.8	61	-179.2	-56.8	-12.3	0	0	0	112.9	Y245 E256	Y245-N254 HydrophobicContact CD1-CB 4.23Å; Y245-N254 HydrophobicContact CE1-CB 4.5Å; Y245-N254 PolarHBondContact O-N 3.19Å; N254-E256 PolarHBondContact O-N 3.29Å
255	P	85.3	Confident	78.3	Confident	7 Å²	7	69.4 Å²	69.4	5%	0.045	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-57.1	129.9	178.4	23.1	-32.8	0	0	0	111.8	Y245 G267	Y245-P255 HydrophobicContact CE1-CG 4.41Å; Y245-P255 HydrophobicContact CE2-CG 3.82Å; Y245-P255 PolarHBondContact OH-O 3.37Å; P255-G267 WeakPolarHBondContact CB-O 3.46Å
256	E	75.4	Confident	78.1	Confident	147 Å²	147	68.4 Å²	68.4	69%	0.687	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-74.6	136.9	170.1	-67.7	177	-163.6	0	0	110.1	N254 H258	N254-E256 PolarHBondContact O-N 3.29Å; E256-H258 IonicContact OE2-CE1 3.46Å; E256-H258 PolarHBondContact OE2-CE1 2.74Å; E256-H258 IonicContact OE2-NE2 3.7Å
257	F	71.6	Confident	78	Confident	63 Å²	63	65.1 Å²	65.1	28%	0.276	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-102.8	128.2	169.9	176.4	-99.9	0	0	0	109.5	V187 P259 T263 P265	V187-F257 HydrophobicContact CB-CD1 4.45Å; V187-F257 HydrophobicContact CG1-CB 3.82Å; V187-F257 HydrophobicContact CG1-CD1 3.24Å; V187-F257 HydrophobicContact CG1-CD2 3.57Å; V187-F257 HydrophobicContact CG1-CE1 3.52Å; V187-F257 HydrophobicContact CG1-CE2 3.84Å; V187-F257 HydrophobicContact CG1-CG 3.24Å; V187-F257 HydrophobicContact CG1-CZ 3.82Å; F257-P259 HydrophobicContact CD1-CG 4Å; F257-P259 HydrophobicContact CE1-CB 3.88Å; F257-P259 HydrophobicContact CE1-CG 3.66Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.2Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.21Å; F257-P265 HydrophobicContact CD2-CG 4.4Å; F257-P265 HydrophobicContact CE2-CB 4.46Å; F257-P265 HydrophobicContact CE2-CG 3.88Å
258	H	66.1	Low	77.8	Confident	67 Å²	67	65.4 Å²	65.4	31%	0.31	34%	0.339	S	S	.	.			trans	-112.5	110.6	172.2	-52.9	-57.2	0	0	0	109	E256 A260 R261	E256-H258 IonicContact OE2-CE1 3.46Å; E256-H258 PolarHBondContact OE2-CE1 2.74Å; E256-H258 IonicContact OE2-NE2 3.7Å; H258-A260 PolarHBondContact O-N 2.97Å; H258-R261 PolarHBondContact CD2-NH1 2.85Å; H258-R261 VanDerWaalsContact CD2-NH1 3.29Å; H258-R261 PolarHBondContact O-N 3.11Å
259	P	62	Low	77.4	Confident	111 Å²	111	67.3 Å²	67.3	72%	0.721	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	-178.9	-19.5	26.7	0	0	0	114	F257 R261	F257-P259 HydrophobicContact CD1-CG 4Å; F257-P259 HydrophobicContact CE1-CB 3.88Å; F257-P259 HydrophobicContact CE1-CG 3.66Å; P259-R261 VanDerWaalsContact C-N 3.31Å; P259-R261 PolarHBondContact O-N 2.69Å
260	A	54.2	Low	77.3	Confident	107 Å²	107	71.4 Å²	71.4	88%	0.884	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.5	-177.6	0	0	0	0	0	114.5	H258	H258-A260 PolarHBondContact O-N 2.97Å
261	R	59.8	Low	77.5	Confident	165 Å²	165	72.7 Å²	72.7	62%	0.623	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	153.3	171.5	-71.9	176.4	-174.6	151	7.6	108.3	H258 P259 T263	H258-R261 PolarHBondContact CD2-NH1 2.85Å; H258-R261 VanDerWaalsContact CD2-NH1 3.29Å; H258-R261 PolarHBondContact O-N 3.11Å; P259-R261 VanDerWaalsContact C-N 3.31Å; P259-R261 PolarHBondContact O-N 2.69Å; R261-T263 HydrophobicContact CB-CG2 3.46Å; R261-T263 VanDerWaalsContact CB-CG2 3.46Å; R261-T263 PolarHBondContact O-N 3.49Å
262	M	58.7	Low	77.6	Confident	172 Å²	172	67.4 Å²	67.4	85%	0.847	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	30.1	178.9	-64.4	175.8	66.2	0	0	114.4	R172	R172-M262 PolarHBondContact NH2-O 3.27Å; R172-M262 VanDerWaalsContact NH2-O 3.14Å
263	T	67.8	Low	77.4	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.031	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-62.4	159.1	-173.1	74.8	0	0	0	0	111.6	R172 F257 R261 D269	R172-T263 PolarHBondContact NE-O 3.46Å; R172-T263 PolarHBondContact NH2-O 2.84Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.2Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.21Å; R261-T263 HydrophobicContact CB-CG2 3.46Å; R261-T263 VanDerWaalsContact CB-CG2 3.46Å; R261-T263 PolarHBondContact O-N 3.49Å; T263-D269 VanDerWaalsContact CA-OD1 3.31Å; T263-D269 WeakPolarHBondContact CA-OD1 3.46Å; T263-D269 WeakPolarHBondContact CB-OD1 3.04Å; T263-D269 WeakPolarHBondContact CB-OD2 3.1Å; T263-D269 WeakPolarHBondContact CG2-OD2 3.49Å
264	I	83.6	Confident	77	Confident	17 Å²	17	64.5 Å²	64.5	9%	0.087	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-93.4	130.1	165.6	-61.5	170.5	0	0	0	106.9	I168 F248 H266 G267 H298	I168-I264 HydrophobicContact CD1-CD1 3.74Å; I168-I264 HydrophobicContact CD1-CG1 4.22Å; I168-I264 HydrophobicContact CG1-CD1 4.17Å; I168-I264 HydrophobicContact CG1-CG1 4.32Å; I168-I264 HydrophobicContact CG1-CG2 3.94Å; F248-I264 HydrophobicContact CE2-CG2 4.07Å; I264-H266 PolarHBondContact O-N 3.37Å; I264-G267 WeakPolarHBondContact O-CA 3.32Å; I264-G267 PolarHBondContact O-N 2.9Å; I264-H298 HydrophobicContact CD1-CB 4.39Å
265	P	85.5	Confident	76.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	128.8	171	-33.6	39	0	0	0	112.5	L171 R172 V187 F248 F257 G267	L171-P265 HydrophobicContact CB-CB 3.79Å; L171-P265 HydrophobicContact CB-CG 4.04Å; L171-P265 HydrophobicContact CD1-CB 4.47Å; R172-P265 HydrophobicContact CB-CG 4.42Å; R172-P265 HydrophobicContact CG-CG 3.66Å; V187-P265 HydrophobicContact CB-CB 4.48Å; V187-P265 HydrophobicContact CG1-CB 3.89Å; V187-P265 HydrophobicContact CG1-CG 4.16Å; V187-P265 HydrophobicContact CG2-CB 4.16Å; V187-P265 HydrophobicContact CG2-CG 4.03Å; F248-P265 VanDerWaalsContact CE2-O 3.25Å; F248-P265 WeakPolarHBondContact CE2-O 3.42Å; F257-P265 HydrophobicContact CD2-CG 4.4Å; F257-P265 HydrophobicContact CE2-CB 4.46Å; F257-P265 HydrophobicContact CE2-CG 3.88Å; P265-G267 PolarHBondContact O-N 2.87Å; P265-G267 VanDerWaalsContact O-N 3.08Å
266	H	88.6	Confident	75.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	11.1	-173.9	-34.4	-73.2	0	0	0	115.4	R186 V187 D189 I191 Y245 C247 F248 I264	R186-H266 PolarHBondContact O-CE1 3.37Å; V187-H266 PolarHBondContact O-CE1 2.92Å; V187-H266 VanDerWaalsContact O-CE1 3.23Å; D189-H266 PolarHBondContact O-CE1 2.82Å; D189-H266 PolarHBondContact O-ND1 2.83Å; I191-H266 HydrophobicContact CD1-CB 3.56Å; I191-H266 HydrophobicContact CG1-CB 3.89Å; Y245-H266 HydrophobicContact CE2-CB 4.11Å; Y245-H266 AromaticContact CE2-ND1 3.79Å; Y245-H266 AromaticContact CZ-ND1 3.77Å; Y245-H266 PolarHBondContact OH-ND1 3.3Å; C247-H266 WeakPolarHBondContact CA-O 3.27Å; F248-H266 HydrophobicContact CE2-CB 4.34Å; F248-H266 HydrophobicContact CZ-CB 4.13Å; I264-H266 PolarHBondContact O-N 3.37Å
267	G	87.7	Confident	74.3	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	33%	0.331	C	S	.	.			trans	-74.7	-174	162.5	0	0	0	0	0	111.4	P255 I264 P265	P255-G267 WeakPolarHBondContact CB-O 3.46Å; I264-G267 WeakPolarHBondContact O-CA 3.32Å; I264-G267 PolarHBondContact O-N 2.9Å; P265-G267 PolarHBondContact O-N 2.87Å; P265-G267 VanDerWaalsContact O-N 3.08Å
268	C	86.8	Confident	73.3	Confident	12 Å²	12	67.2 Å²	67.2	8%	0.081	35%	0.345	C	S	.	.			trans	-138.9	6.7	174.1	68.7	0	0	0	0	113.7	C247 C249 I252 Q270 C297	C247-C268 HydrophobicContact CB-CB 3.83Å; C249-C268 PolarHBondContact SG-SG 2.05Å; I252-C268 HydrophobicContact CB-CB 4.17Å; I252-C268 HydrophobicContact CD1-CB 3.84Å; I252-C268 HydrophobicContact CG1-CB 4Å; C268-Q270 PolarHBondContact O-N 3.12Å; C268-C297 VanDerWaalsContact SG-CB 3.56Å
269	D	81.9	Confident	72.1	Confident	52 Å²	52	66.5 Å²	66.5	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	53.9	12.9	178.7	-41.7	-50.2	0	0	0	115.8	T263	T263-D269 VanDerWaalsContact CA-OD1 3.31Å; T263-D269 WeakPolarHBondContact CA-OD1 3.46Å; T263-D269 WeakPolarHBondContact CB-OD1 3.04Å; T263-D269 WeakPolarHBondContact CB-OD2 3.1Å; T263-D269 WeakPolarHBondContact CG2-OD2 3.49Å
270	Q	85	Confident	70.8	Confident	98 Å²	98	64.9 Å²	64.9	46%	0.458	34%	0.337	S	S	.	.	S	Bend	trans	-87.8	150.5	165.6	-55.5	-50	-53	0	0	110.1	C268 C272 C297	C268-Q270 PolarHBondContact O-N 3.12Å; Q270-C272 PolarHBondContact O-N 3.05Å; Q270-C297 PolarHBondContact O-N 3.16Å
271	V	87.7	Confident	69.8	Low	62 Å²	62	68.1 Å²	68.1	38%	0.376	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-52.1	134.5	168.5	-172.1	0	0	0	0	109.5	R251 N273 C293 T294 E295	R251-V271 PolarHBondContact NH1-O 3.01Å; R251-V271 PolarHBondContact NH2-O 2.9Å; V271-N273 VanDerWaalsContact CG1-OD1 3.23Å; V271-N273 WeakPolarHBondContact CG1-OD1 3.32Å; V271-N273 PolarHBondContact O-OD1 3.16Å; V271-C293 WeakPolarHBondContact CG1-O 3.47Å; V271-T294 WeakPolarHBondContact CG1-O 3.41Å; V271-E295 CarbonylContact C-O 3.6Å; V271-E295 WeakPolarHBondContact CA-O 3.45Å
272	C	86.4	Confident	68.7	Low	1 Å²	1	64 Å²	64	1%	0.007	33%	0.33	C	S	.	.			trans	-68.2	-39.7	-164	-177	0	0	0	0	113.5	R251 Q270 K274 C293 E295	R251-C272 PolarHBondContact NH2-O 2.75Å; Q270-C272 PolarHBondContact O-N 3.05Å; C272-K274 PolarHBondContact O-N 3.16Å; C272-C293 HydrophobicContact CB-CB 3.99Å; C272-E295 WeakPolarHBondContact CB-O 3.14Å; C272-E295 PolarHBondContact N-O 3.47Å
273	N	82	Confident	67.4	Low	73 Å²	73	58.7 Å²	58.7	39%	0.39	31%	0.31	S	S	.	.			trans	40.9	21.4	-175.1	-41.7	12.5	0	0	0	116.6	R251 V271 V275 L292 C293	R251-N273 PolarHBondContact NH2-OD1 2.89Å; V271-N273 VanDerWaalsContact CG1-OD1 3.23Å; V271-N273 WeakPolarHBondContact CG1-OD1 3.32Å; V271-N273 PolarHBondContact O-OD1 3.16Å; N273-V275 PolarHBondContact O-N 3.3Å; N273-L292 HydrophobicContact CB-CB 4.07Å; N273-L292 HydrophobicContact CB-CD1 4.23Å; N273-C293 WeakPolarHBondContact CA-O 3.22Å; N273-C293 PolarHBondContact N-O 3.42Å
274	K	76.7	Confident	66	Low	79 Å²	79	64.7 Å²	64.7	34%	0.343	34%	0.341	S	S	.	.			trans	-61.1	137.9	160.2	-72.5	-178.8	-178.5	172.9	0	107.9	F248 C272 K276 C293	F248-K274 WeakPolarHBondContact O-CE 3.38Å; F248-K274 PolarHBondContact O-NZ 3.49Å; C272-K274 PolarHBondContact O-N 3.16Å; K274-K276 PolarHBondContact O-N 2.64Å; K274-C293 VanDerWaalsContact O-CB 3.29Å; K274-C293 WeakPolarHBondContact O-CB 3.27Å; K274-C293 PolarHBondContact O-N 3.06Å
275	V	71.4	Confident	63.8	Low	71 Å²	71	68.5 Å²	68.5	43%	0.43	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-60.7	130.2	169.3	-171.8	0	0	0	0	107.6	N273 R277 C289 L292	N273-V275 PolarHBondContact O-N 3.3Å; V275-R277 PolarHBondContact O-N 2.56Å; V275-C289 WeakPolarHBondContact CG1-O 3.36Å; V275-L292 HydrophobicContact CG2-CD2 4.2Å
276	K	62.8	Low	61.7	Low	15 Å²	15	76.5 Å²	76.5	7%	0.065	41%	0.412	C	S	.	.			trans	-70	91	-176.5	-69.7	-169.9	174.8	-148.8	0	110.3	K274 Q288 C289 H291 C293 C302 P303 P304 C305	K274-K276 PolarHBondContact O-N 2.64Å; K276-Q288 PolarHBondContact O-NE2 3.36Å; K276-Q288 VanDerWaalsContact O-NE2 3.1Å; K276-C289 HydrophobicContact CB-CB 4.38Å; K276-H291 PolarHBondContact N-O 3.16Å; K276-C293 HydrophobicContact CG-CB 4.26Å; K276-C302 HydrophobicContact CG-CB 4.29Å; K276-P303 WeakPolarHBondContact CD-O 3.45Å; K276-P303 WeakPolarHBondContact CE-O 3.44Å; K276-P303 PolarHBondContact NZ-O 3.09Å; K276-P304 PolarHBondContact NZ-O 3.34Å; K276-C305 HydrophobicContact CD-CB 3.98Å
277	R	54.8	Low	59.9	Low	188 Å²	188	82.4 Å²	82.4	71%	0.709	44%	0.435	S	S	*	.			trans	-76.4	120.4	166.2	-79.2	-178.2	177.9	176.9	2.2	108.9	V275 T279 Q288	V275-R277 PolarHBondContact O-N 2.56Å; R277-T279 PolarHBondContact O-N 3.28Å; R277-T279 VanDerWaalsContact O-N 3.15Å; R277-Q288 VanDerWaalsContact CG-OE1 3.27Å
278	I	49.5	Very low	58.4	Low	113 Å²	113	86.6 Å²	86.6	58%	0.579	45%	0.454	S	S	*	.			trans	-70.7	106.3	167.8	-60.4	171.4	0	0	0	106.9
279	T	41.9	Very low	57.4	Low	52 Å²	52	86.1 Å²	86.1	32%	0.319	45%	0.451	S	S	.	.			trans	-76.5	136.5	167.1	47.2	0	0	0	0	109.1	R277	R277-T279 PolarHBondContact O-N 3.28Å; R277-T279 VanDerWaalsContact O-N 3.15Å
280	S	33.9	Very low	56.8	Low	76 Å²	76	88.9 Å²	88.9	53%	0.531	47%	0.47	S	S	.	.	S	Bend	trans	62.3	103.8	176.9	39.7	0	0	0	0	118.2
281	E	32.7	Very low	56.3	Low	176 Å²	176	87.2 Å²	87.2	82%	0.822	46%	0.462	S	S	*	.	S	Bend	trans	69.1	45.3	131.3	-50.2	-156.5	139	0	0	121.2
282	S	38.2	Very low	56	Low	77 Å²	77	88.3 Å²	88.3	54%	0.538	47%	0.465	S	S	.	.			trans	-135	62.8	162.3	55	0	0	0	0	114	L284	S282-L284 PolarHBondContact O-N 3.23Å; S282-L284 VanDerWaalsContact O-N 3.11Å
283	S	30.8	Very low	55.8	Low	62 Å²	62	88.3 Å²	88.3	43%	0.434	47%	0.465	S	S	.	.			trans	-71.1	102.8	179.3	8.1	0	0	0	0	114.2	S663 G664 P665	S283-S663 WeakPolarHBondContact CB-O 3.44Å; S283-G664 WeakPolarHBondContact O-CA 3.25Å; S283-G664 WeakPolarHBondContact OG-CA 3.4Å; S283-P665 VanDerWaalsContact N-CD 3.26Å; S283-P665 WeakPolarHBondContact O-CD 3.48Å
284	L	38.4	Very low	56	Low	131 Å²	131	89.8 Å²	89.8	69%	0.686	48%	0.477	S	S	*	.	S	Bend	trans	-118.7	102.7	141.1	-150.8	82.2	0	0	0	107.9	S282	S282-L284 PolarHBondContact O-N 3.23Å; S282-L284 VanDerWaalsContact O-N 3.11Å
285	S	37.1	Very low	56.3	Low	96 Å²	96	88.9 Å²	88.9	67%	0.671	47%	0.474	S	S	*	.	S	Bend	trans	43.7	87.4	173.2	59.3	0	0	0	0	117.7	Y287	S285-Y287 PolarHBondContact O-N 2.9Å
286	D	41	Very low	57	Low	169 Å²	169	90 Å²	90	90%	0.904	48%	0.477	S	S	*	.			trans	38.1	34.3	152.4	-66.7	-20.4	0	0	0	118.8	Q288	D286-Q288 PolarHBondContact O-N 3.13Å
287	Y	52.4	Low	58.3	Low	125 Å²	125	89.3 Å²	89.3	49%	0.49	47%	0.474	S	S	.	.			trans	-76.9	73.2	178.6	-157.9	-87.1	0	0	0	111	S285 C289 C324	S285-Y287 PolarHBondContact O-N 2.9Å; Y287-C289 HydrophobicContact CD1-CB 4.37Å; Y287-C289 HydrophobicContact CE1-CB 4.28Å; Y287-C289 PolarHBondContact O-N 3.15Å; Y287-C324 VanDerWaalsContact CE1-SG 3.59Å
288	Q	55.5	Low	59.8	Low	90 Å²	90	80.4 Å²	80.4	42%	0.421	44%	0.44	S	S	.	.			trans	-66.1	90	164.8	177.4	52.7	90.7	0	0	108	K276 R277 D286 T290	K276-Q288 PolarHBondContact O-NE2 3.36Å; K276-Q288 VanDerWaalsContact O-NE2 3.1Å; R277-Q288 VanDerWaalsContact CG-OE1 3.27Å; D286-Q288 PolarHBondContact O-N 3.13Å; Q288-T290 PolarHBondContact O-N 3.15Å; Q288-T290 VanDerWaalsContact O-N 3.08Å
289	C	65	Low	61.7	Low	3 Å²	3	75.1 Å²	75.1	2%	0.02	41%	0.413	C	S	.	.			trans	-44.9	117.2	176.3	-178.5	0	0	0	0	110.2	V275 K276 Y287 H291 C305 C324	V275-C289 WeakPolarHBondContact CG1-O 3.36Å; K276-C289 HydrophobicContact CB-CB 4.38Å; Y287-C289 HydrophobicContact CD1-CB 4.37Å; Y287-C289 HydrophobicContact CE1-CB 4.28Å; Y287-C289 PolarHBondContact O-N 3.15Å; C289-H291 PolarHBondContact O-N 2.95Å; C289-H291 PolarHBondContact SG-ND1 3.14Å; C289-C305 VanDerWaalsContact SG-CB 3.59Å; C289-C324 PolarHBondContact SG-SG 2.05Å
290	T	70.7	Confident	63.8	Low	109 Å²	109	72.8 Å²	72.8	67%	0.669	40%	0.4	S	S	*	.			trans	-75.4	-15.9	-179.2	50	0	0	0	0	112	Q288	Q288-T290 PolarHBondContact O-N 3.15Å; Q288-T290 VanDerWaalsContact O-N 3.08Å
291	H	74	Confident	66.2	Low	64 Å²	64	69.9 Å²	69.9	30%	0.296	38%	0.38	S	S	.	.	S	Bend	trans	-68.6	135.2	177.6	-53.2	111.6	0	0	0	111.9	K276 C289 C305 C324	K276-H291 PolarHBondContact N-O 3.16Å; C289-H291 PolarHBondContact O-N 2.95Å; C289-H291 PolarHBondContact SG-ND1 3.14Å; H291-C305 VanDerWaalsContact CB-SG 3.52Å; H291-C305 PolarHBondContact ND1-SG 2.95Å; H291-C305 VanDerWaalsContact ND1-SG 3.43Å; H291-C324 PolarHBondContact ND1-SG 2.03Å
292	L	82	Confident	68.6	Low	85 Å²	85	62.7 Å²	62.7	45%	0.445	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-78.8	149.8	178.8	-57.6	174.9	0	0	0	110.4	N273 V275 T294	N273-L292 HydrophobicContact CB-CB 4.07Å; N273-L292 HydrophobicContact CB-CD1 4.23Å; V275-L292 HydrophobicContact CG2-CD2 4.2Å; L292-T294 PolarHBondContact O-N 3.36Å
293	C	82.3	Confident	70.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.332	C	S	.	.			trans	-67.9	115	175.9	-173.6	0	0	0	0	111.6	V271 C272 N273 K274 K276 C302	V271-C293 WeakPolarHBondContact CG1-O 3.47Å; C272-C293 HydrophobicContact CB-CB 3.99Å; N273-C293 WeakPolarHBondContact CA-O 3.22Å; N273-C293 PolarHBondContact N-O 3.42Å; K274-C293 VanDerWaalsContact O-CB 3.29Å; K274-C293 WeakPolarHBondContact O-CB 3.27Å; K274-C293 PolarHBondContact O-N 3.06Å; K276-C293 HydrophobicContact CG-CB 4.26Å; C293-C302 HydrophobicContact CB-CB 4.16Å; C293-C302 VanDerWaalsContact SG-SG 3.66Å
294	T	84.7	Confident	72.6	Confident	104 Å²	104	62 Å²	62	64%	0.638	34%	0.341	S	S	*	.			trans	-84.3	-7	-178	48.4	0	0	0	0	114.8	V271 L292	V271-T294 WeakPolarHBondContact CG1-O 3.41Å; L292-T294 PolarHBondContact O-N 3.36Å
295	E	82.7	Confident	74.4	Confident	61 Å²	61	56.5 Å²	56.5	29%	0.285	31%	0.313	S	S	.	.	S	Bend	trans	-67.5	156.9	174.1	-67.6	-62.8	102	0	0	111.7	R164 V271 C272 P303	R164-E295 IonicContact CZ-OE2 3.87Å; R164-E295 IonicContact NH1-OE2 3.5Å; R164-E295 PolarHBondContact NH1-OE2 3Å; R164-E295 IonicContact NH2-OE2 2.78Å; R164-E295 PolarHBondContact NH2-OE2 3.28Å; V271-E295 CarbonylContact C-O 3.6Å; V271-E295 WeakPolarHBondContact CA-O 3.45Å; C272-E295 WeakPolarHBondContact CB-O 3.14Å; C272-E295 PolarHBondContact N-O 3.47Å; E295-P303 HydrophobicContact CG-CG 3.55Å
296	L	87.3	Confident	76.3	Confident	94 Å²	94	58.8 Å²	58.8	49%	0.492	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-61.7	156.4	161.6	-58.4	-176.6	0	0	0	110.8	H298	L296-H298 PolarHBondContact O-CD2 2.66Å; L296-H298 PolarHBondContact O-N 3.43Å
297	C	89.2	Confident	77.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	29%	0.285	C	S	.	.	S	Bend	trans	-52.2	100.3	-179.6	173.6	0	0	0	0	113.3	C249 C268 Q270	C249-C297 HydrophobicContact CB-CB 4.05Å; C249-C297 VanDerWaalsContact CB-SG 3.57Å; C249-C297 PolarHBondContact N-SG 3.49Å; C268-C297 VanDerWaalsContact SG-CB 3.56Å; Q270-C297 PolarHBondContact O-N 3.16Å
298	H	87.1	Confident	79.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.294	C	S	.	.			trans	-110.6	153.2	-173.7	64.2	82.4	0	0	0	112.2	F248 I264 L296 P301 C302	F248-H298 WeakPolarHBondContact CB-O 3.48Å; I264-H298 HydrophobicContact CD1-CB 4.39Å; L296-H298 PolarHBondContact O-CD2 2.66Å; L296-H298 PolarHBondContact O-N 3.43Å; H298-P301 PolarHBondContact CE1-O 2.95Å; H298-C302 PolarHBondContact NE2-SG 3.35Å; H298-C302 VanDerWaalsContact NE2-SG 3.4Å
299	P	89.1	Confident	80	Confident	2 Å²	2	49 Å²	49	1%	0.013	28%	0.283	C	S	.	.	S	Bend	trans	-71	167.4	161.9	32.3	-35.8	0	0	0	110.6	L167 I168 F248	L167-P299 HydrophobicContact CB-CB 3.98Å; L167-P299 HydrophobicContact CB-CG 3.9Å; L167-P299 HydrophobicContact CD1-CB 4.08Å; I168-P299 HydrophobicContact CD1-CG 4.41Å; I168-P299 HydrophobicContact CG1-CG 3.68Å; F248-P299 HydrophobicContact CD1-CB 4.18Å; F248-P299 HydrophobicContact CD2-CB 4.21Å; F248-P299 HydrophobicContact CE1-CB 4.07Å; F248-P299 HydrophobicContact CE2-CB 4.1Å; F248-P299 HydrophobicContact CE2-CG 4.41Å; F248-P299 HydrophobicContact CG-CB 4.26Å; F248-P299 HydrophobicContact CZ-CB 4.04Å
300	G	85.7	Confident	80.8	Confident	4 Å²	4	53.4 Å²	53.4	4%	0.041	31%	0.31	C	S	.	.	S	Bend	trans	77.9	-173	179.3	0	0	0	0	0	115.2	Y198	Y198-G300 WeakPolarHBondContact CE1-O 3.43Å
301	P	85.6	Confident	81.1	Confident	15 Å²	15	48.8 Å²	48.8	10%	0.097	28%	0.281	C	S	.	.	S	Bend	trans	-70.9	160.6	174.4	31.3	-34.1	0	0	0	111.4	H160 Y198 H298	H160-P301 WeakPolarHBondContact ND1-CG 3.23Å; Y198-P301 HydrophobicContact CE2-CB 3.99Å; Y198-P301 HydrophobicContact CE2-CG 4.19Å; H298-P301 PolarHBondContact CE1-O 2.95Å
302	C	82.8	Confident	81.4	Confident	25 Å²	25	48.7 Å²	48.7	17%	0.169	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-79.1	138.7	175.2	-64.5	0	0	0	0	110.6	K276 C293 H298	K276-C302 HydrophobicContact CG-CB 4.29Å; C293-C302 HydrophobicContact CB-CB 4.16Å; C293-C302 VanDerWaalsContact SG-SG 3.66Å; H298-C302 PolarHBondContact NE2-SG 3.35Å; H298-C302 VanDerWaalsContact NE2-SG 3.4Å
303	P	79.2	Confident	81.5	Confident	29 Å²	29	44.8 Å²	44.8	19%	0.188	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.9	178.9	26.6	-34.6	0	0	0	112.2	K276 E295	K276-P303 WeakPolarHBondContact CD-O 3.45Å; K276-P303 WeakPolarHBondContact CE-O 3.44Å; K276-P303 PolarHBondContact NZ-O 3.09Å; E295-P303 HydrophobicContact CG-CG 3.55Å
304	P	73.5	Confident	81.3	Confident	96 Å²	96	46.5 Å²	46.5	62%	0.623	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-56.6	165.5	-178	23	-35	0	0	0	114.2	K276 L306	K276-P304 PolarHBondContact NZ-O 3.34Å; P304-L306 PolarHBondContact O-N 3.03Å
305	C	75.6	Confident	80.9	Confident	14 Å²	14	42.4 Å²	42.4	10%	0.095	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	103.3	-171.1	-165	0	0	0	0	113.2	K276 C289 H291 A307 C324	K276-C305 HydrophobicContact CD-CB 3.98Å; C289-C305 VanDerWaalsContact SG-CB 3.59Å; H291-C305 VanDerWaalsContact CB-SG 3.52Å; H291-C305 PolarHBondContact ND1-SG 2.95Å; H291-C305 VanDerWaalsContact ND1-SG 3.43Å; C305-A307 PolarHBondContact O-N 2.79Å; C305-A307 VanDerWaalsContact O-N 3.14Å; C305-A307 VanDerWaalsContact SG-CB 3.58Å; C305-C324 HydrophobicContact CB-CB 3.77Å; C305-C324 PolarHBondContact O-N 3.43Å
306	L	76.4	Confident	80.8	Confident	145 Å²	145	41.1 Å²	41.1	76%	0.759	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	13.5	175.5	-52.4	179.3	0	0	0	114.1	P304	P304-L306 PolarHBondContact O-N 3.03Å
307	A	73.5	Confident	80.4	Confident	28 Å²	28	40.9 Å²	40.9	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.5	177.9	0	0	0	0	0	110.1	C305 I309 T323 C324	C305-A307 PolarHBondContact O-N 2.79Å; C305-A307 VanDerWaalsContact O-N 3.14Å; C305-A307 VanDerWaalsContact SG-CB 3.58Å; A307-I309 PolarHBondContact O-N 2.76Å; A307-T323 CarbonylContact O-C 3.54Å; A307-C324 HydrophobicContact CB-CB 4.1Å; A307-C324 WeakPolarHBondContact O-CB 3.37Å; A307-C324 PolarHBondContact O-N 3.3Å
308	T	78.8	Confident	79.9	Confident	110 Å²	110	43 Å²	43	68%	0.675	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.1	178	-45.6	0	0	0	0	110.7	A322	T308-A322 CarbonylContact C-O 3.54Å; T308-A322 VanDerWaalsContact CA-O 3.29Å; T308-A322 WeakPolarHBondContact CA-O 3.09Å; T308-A322 WeakPolarHBondContact CG2-O 3.44Å
309	I	75.7	Confident	79.7	Confident	39 Å²	39	49.4 Å²	49.4	20%	0.2	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.4	171.6	58.5	171	0	0	0	109.6	A307 L311 A322 C324	A307-I309 PolarHBondContact O-N 2.76Å; I309-L311 HydrophobicContact CD1-CD2 3.77Å; I309-L311 HydrophobicContact CD1-CG 4.39Å; I309-L311 HydrophobicContact CG1-CD2 4.35Å; I309-L311 HydrophobicContact CG1-CG 4.5Å; I309-L311 PolarHBondContact O-N 2.93Å; I309-A322 PolarHBondContact N-O 3.07Å; I309-A322 PolarHBondContact O-N 3.46Å; I309-A322 VanDerWaalsContact O-O 3.08Å; I309-C324 HydrophobicContact CG2-CB 4.15Å
310	T	80.1	Confident	79.2	Confident	96 Å²	96	55.6 Å²	55.6	59%	0.589	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	108	169.4	-55.9	0	0	0	0	108.5	Q319	T310-Q319 HydrophobicContact CG2-CB 3.96Å
311	L	77.3	Confident	79	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.1	167.3	-62.6	176.4	0	0	0	108.9	I309 Q319 R320 A322 D326 P327 L329	I309-L311 HydrophobicContact CD1-CD2 3.77Å; I309-L311 HydrophobicContact CD1-CG 4.39Å; I309-L311 HydrophobicContact CG1-CD2 4.35Å; I309-L311 HydrophobicContact CG1-CG 4.5Å; I309-L311 PolarHBondContact O-N 2.93Å; L311-Q319 CarbonylContact O-C 3.54Å; L311-Q319 VanDerWaalsContact O-CA 3.26Å; L311-Q319 WeakPolarHBondContact O-CA 3.43Å; L311-R320 PolarHBondContact N-O 2.79Å; L311-R320 PolarHBondContact O-N 2.91Å; L311-A322 HydrophobicContact CD1-CB 3.55Å; L311-A322 HydrophobicContact CG-CB 3.98Å; L311-D326 HydrophobicContact CD1-CB 4.48Å; L311-P327 VanDerWaalsContact CD1-O 3.28Å; L311-P327 WeakPolarHBondContact CD1-O 3.39Å; L311-L329 HydrophobicContact CB-CD1 4.12Å; L311-L329 HydrophobicContact CB-CG 4.19Å; L311-L329 WeakPolarHBondContact O-CD1 3.5Å
312	S	81	Confident	78.6	Confident	63 Å²	63	59.4 Å²	59.4	44%	0.441	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.8	171	57.4	0	0	0	0	110.3	S318	S312-S318 WeakPolarHBondContact CA-O 3.26Å
313	C	83.6	Confident	78.3	Confident	2 Å²	2	61 Å²	61	1%	0.014	36%	0.356	C	S	.	.			trans	-67.7	161.7	169.8	75.1	0	0	0	0	110	C315 G316 S318 L329 Q330 C332	C313-C315 PolarHBondContact O-N 3.27Å; C313-C315 VanDerWaalsContact SG-SG 3.62Å; C313-G316 PolarHBondContact O-N 3.12Å; C313-S318 WeakPolarHBondContact CB-OG 3.12Å; C313-S318 PolarHBondContact N-O 3.34Å; C313-S318 PolarHBondContact SG-N 3.46Å; C313-S318 PolarHBondContact SG-OG 3.21Å; C313-L329 HydrophobicContact CB-CB 4.21Å; C313-Q330 WeakPolarHBondContact CB-O 3.4Å; C313-C332 HydrophobicContact CB-CB 4.19Å
314	P	78.4	Confident	78.1	Confident	37 Å²	37	60 Å²	60	24%	0.24	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.7	-176.3	-30.4	36.2	0	0	0	115.8	R338 H356 Y357	P314-R338 PolarHBondContact O-NE 3.15Å; P314-R338 PolarHBondContact O-NH2 2.93Å; P314-H356 WeakPolarHBondContact CB-O 3.3Å; P314-Y357 HydrophobicContact CB-CD1 4.49Å; P314-Y357 HydrophobicContact CG-CD1 3.54Å; P314-Y357 HydrophobicContact CG-CE1 3.63Å; P314-Y357 HydrophobicContact CG-CG 4.35Å
315	C	77	Confident	77.8	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.115	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.9	176.2	73.2	0	0	0	0	114.3	C313 K317 C332 C355	C313-C315 PolarHBondContact O-N 3.27Å; C313-C315 VanDerWaalsContact SG-SG 3.62Å; C315-K317 PolarHBondContact O-N 3.15Å; C315-C332 PolarHBondContact SG-SG 2.98Å; C315-C355 HydrophobicContact CB-CB 4.4Å; C315-C355 PolarHBondContact SG-SG 3.47Å
316	G	79.3	Confident	77.5	Confident	34 Å²	34	61 Å²	61	35%	0.351	36%	0.364	S	S	.	.	S	Bend	trans	77.4	-9.4	177.8	0	0	0	0	0	115.8	C313	C313-G316 PolarHBondContact O-N 3.12Å
317	K	79.2	Confident	77	Confident	89 Å²	89	58.6 Å²	58.6	39%	0.387	36%	0.357	S	S	.	.	S	Bend	trans	-74.9	-25.1	-171.2	-65.9	-173.4	176	-172.7	0	115.4	C315 Q334 I335	C315-K317 PolarHBondContact O-N 3.15Å; K317-Q334 HydrophobicContact CD-CB 4.49Å; K317-I335 WeakPolarHBondContact CE-O 3.35Å; K317-I335 PolarHBondContact NZ-O 3.03Å
318	S	79.8	Confident	76.8	Confident	45 Å²	45	61.9 Å²	61.9	32%	0.315	37%	0.371	S	S	.	.			trans	-122.2	142.4	171.9	63.6	0	0	0	0	110	S312 C313 C332	S312-S318 WeakPolarHBondContact CA-O 3.26Å; C313-S318 WeakPolarHBondContact CB-OG 3.12Å; C313-S318 PolarHBondContact N-O 3.34Å; C313-S318 PolarHBondContact SG-N 3.46Å; C313-S318 PolarHBondContact SG-OG 3.21Å; S318-C332 VanDerWaalsContact OG-CB 3.26Å; S318-C332 WeakPolarHBondContact OG-CB 2.99Å
319	Q	81.6	Confident	76.4	Confident	136 Å²	136	57.7 Å²	57.7	64%	0.636	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.5	-174.6	-58.6	-177	15.9	0	0	109.3	T310 L311	T310-Q319 HydrophobicContact CG2-CB 3.96Å; L311-Q319 CarbonylContact O-C 3.54Å; L311-Q319 VanDerWaalsContact O-CA 3.26Å; L311-Q319 WeakPolarHBondContact O-CA 3.43Å
320	R	79.9	Confident	76.3	Confident	132 Å²	132	62.1 Å²	62.1	50%	0.498	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	131.8	179.2	-168.9	177	67.3	-172.4	0.3	109.2	L311 L329	L311-R320 PolarHBondContact N-O 2.79Å; L311-R320 PolarHBondContact O-N 2.91Å; R320-L329 HydrophobicContact CB-CD1 3.89Å; R320-L329 HydrophobicContact CB-CD2 4.05Å; R320-L329 HydrophobicContact CB-CG 4.32Å
321	S	81.7	Confident	76.4	Confident	86 Å²	86	59.5 Å²	59.5	60%	0.601	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.8	167.4	38.8	0	0	0	0	110.2
322	A	75.4	Confident	76.7	Confident	12 Å²	12	60.7 Å²	60.7	10%	0.099	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	171.8	177.3	0	0	0	0	0	109.6	T308 I309 L311 D326	T308-A322 CarbonylContact C-O 3.54Å; T308-A322 VanDerWaalsContact CA-O 3.29Å; T308-A322 WeakPolarHBondContact CA-O 3.09Å; T308-A322 WeakPolarHBondContact CG2-O 3.44Å; I309-A322 PolarHBondContact N-O 3.07Å; I309-A322 PolarHBondContact O-N 3.46Å; I309-A322 VanDerWaalsContact O-O 3.08Å; L311-A322 HydrophobicContact CD1-CB 3.55Å; L311-A322 HydrophobicContact CG-CB 3.98Å; A322-D326 HydrophobicContact CB-CB 3.75Å
323	T	78.3	Confident	76.7	Confident	58 Å²	58	60.1 Å²	60.1	36%	0.356	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	159.8	175.3	69.4	0	0	0	0	111.9	A307 G325 D326	A307-T323 CarbonylContact O-C 3.54Å; T323-G325 VanDerWaalsContact C-N 3.27Å; T323-G325 PolarHBondContact O-N 3.23Å; T323-D326 WeakPolarHBondContact CA-OD2 3.48Å; T323-D326 WeakPolarHBondContact CB-OD2 3.2Å; T323-D326 PolarHBondContact N-OD2 3.23Å; T323-D326 PolarHBondContact O-N 2.83Å; T323-D326 VanDerWaalsContact OG1-CG 3.3Å; T323-D326 PolarHBondContact OG1-OD2 3.23Å
324	C	74.9	Confident	76.4	Confident	8 Å²	8	65.5 Å²	65.5	5%	0.054	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	77.7	-175.7	178.6	0	0	0	0	111.9	Y287 C289 H291 C305 A307 I309	Y287-C324 VanDerWaalsContact CE1-SG 3.59Å; C289-C324 PolarHBondContact SG-SG 2.05Å; H291-C324 PolarHBondContact ND1-SG 2.03Å; C305-C324 HydrophobicContact CB-CB 3.77Å; C305-C324 PolarHBondContact O-N 3.43Å; A307-C324 HydrophobicContact CB-CB 4.1Å; A307-C324 WeakPolarHBondContact O-CB 3.37Å; A307-C324 PolarHBondContact O-N 3.3Å; I309-C324 HydrophobicContact CG2-CB 4.15Å
325	G	66.3	Low	76.4	Confident	63 Å²	63	66.1 Å²	66.1	65%	0.649	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	155.9	-12.8	-175.8	0	0	0	0	0	112.9	T323	T323-G325 VanDerWaalsContact C-N 3.27Å; T323-G325 PolarHBondContact O-N 3.23Å
326	D	69.2	Low	76.7	Confident	68 Å²	68	65.3 Å²	65.3	36%	0.364	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.1	151.2	179.1	-80.2	-42.1	0	0	0	113.6	L311 A322 T323	L311-D326 HydrophobicContact CD1-CB 4.48Å; A322-D326 HydrophobicContact CB-CB 3.75Å; T323-D326 WeakPolarHBondContact CA-OD2 3.48Å; T323-D326 WeakPolarHBondContact CB-OD2 3.2Å; T323-D326 PolarHBondContact N-OD2 3.23Å; T323-D326 PolarHBondContact O-N 2.83Å; T323-D326 VanDerWaalsContact OG1-CG 3.3Å; T323-D326 PolarHBondContact OG1-OD2 3.23Å
327	P	67.1	Low	76.6	Confident	95 Å²	95	69.7 Å²	69.7	62%	0.617	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-67.8	138.9	-178.2	27.3	-35.1	0	0	0	112.8	L311	L311-P327 VanDerWaalsContact CD1-O 3.28Å; L311-P327 WeakPolarHBondContact CD1-O 3.39Å
328	N	68.6	Low	76.7	Confident	98 Å²	98	68.6 Å²	68.6	52%	0.524	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-52.9	149.9	177.4	-70.2	-64.2	0	0	0	113.2
329	L	70.1	Confident	76.6	Confident	22 Å²	22	72.8 Å²	72.8	12%	0.115	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-63.5	144.4	178.2	-84	166.5	0	0	0	112.9	L311 C313 R320 Y357	L311-L329 HydrophobicContact CB-CD1 4.12Å; L311-L329 HydrophobicContact CB-CG 4.19Å; L311-L329 WeakPolarHBondContact O-CD1 3.5Å; C313-L329 HydrophobicContact CB-CB 4.21Å; R320-L329 HydrophobicContact CB-CD1 3.89Å; R320-L329 HydrophobicContact CB-CD2 4.05Å; R320-L329 HydrophobicContact CB-CG 4.32Å; L329-Y357 PolarHBondContact O-OH 3.04Å
330	Q	74.5	Confident	76.4	Confident	131 Å²	131	66.9 Å²	66.9	61%	0.612	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-70.9	161.8	172.3	-67	-63.1	-38	0	0	111.8	C313 C332 Y357	C313-Q330 WeakPolarHBondContact CB-O 3.4Å; Q330-C332 PolarHBondContact O-N 3.36Å; Q330-Y357 VanDerWaalsContact CD-OH 3.3Å; Q330-Y357 PolarHBondContact NE2-OH 2.98Å; Q330-Y357 PolarHBondContact OE1-OH 2.81Å; Q330-Y357 VanDerWaalsContact OE1-OH 3.11Å
331	P	82.3	Confident	75.7	Confident	42 Å²	42	65 Å²	65	27%	0.273	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.1	131.5	177.7	-14	29.9	0	0	0	111.1	G333 C355 Y357	P331-G333 PolarHBondContact O-N 3.27Å; P331-G333 VanDerWaalsContact O-N 3.08Å; P331-C355 HydrophobicContact CB-CB 4.06Å; P331-C355 WeakPolarHBondContact CB-O 3.49Å; P331-Y357 HydrophobicContact CG-CD2 3.78Å; P331-Y357 HydrophobicContact CG-CE2 3.48Å; P331-Y357 VanDerWaalsContact CG-CE2 3.48Å; P331-Y357 HydrophobicContact CG-CG 4.43Å
332	C	82.2	Confident	74.9	Confident	37 Å²	37	67.5 Å²	67.5	25%	0.25	38%	0.379	C	S	.	.			trans	-83.6	20.3	-164.7	72.6	0	0	0	0	115.8	C313 C315 S318 Q330 Q334 C355	C313-C332 HydrophobicContact CB-CB 4.19Å; C315-C332 PolarHBondContact SG-SG 2.98Å; S318-C332 VanDerWaalsContact OG-CB 3.26Å; S318-C332 WeakPolarHBondContact OG-CB 2.99Å; Q330-C332 PolarHBondContact O-N 3.36Å; C332-Q334 PolarHBondContact O-N 3.1Å; C332-C355 PolarHBondContact N-SG 3.36Å
333	G	80.4	Confident	74.5	Confident	50 Å²	50	69.5 Å²	69.5	52%	0.515	39%	0.388	S	S	.	.	S	Bend	trans	69.2	-47.8	-176.1	0	0	0	0	0	115.5	P331 T354	P331-G333 PolarHBondContact O-N 3.27Å; P331-G333 VanDerWaalsContact O-N 3.08Å; G333-T354 WeakPolarHBondContact O-CB 3.38Å; G333-T354 WeakPolarHBondContact O-CG2 3.48Å
334	Q	78.9	Confident	74.5	Confident	115 Å²	115	67.3 Å²	67.3	54%	0.537	38%	0.375	S	S	.	.	S	Bend	trans	-52.7	148.5	-176.8	-63.1	-173.7	-8.9	0	0	113.9	K317 C332 C336 C355	K317-Q334 HydrophobicContact CD-CB 4.49Å; C332-Q334 PolarHBondContact O-N 3.1Å; Q334-C336 PolarHBondContact O-N 3.37Å; Q334-C355 WeakPolarHBondContact O-CB 3.47Å; Q334-C355 PolarHBondContact O-N 3.31Å
335	I	78.3	Confident	74.4	Confident	50 Å²	50	69 Å²	69	26%	0.256	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-45.9	129.8	171.7	-53.9	169.2	0	0	0	110.3	K317 K337 S353 Y417	K317-I335 WeakPolarHBondContact CE-O 3.35Å; K317-I335 PolarHBondContact NZ-O 3.03Å; I335-K337 HydrophobicContact CB-CG 4.34Å; I335-K337 HydrophobicContact CG2-CG 3.85Å; I335-K337 PolarHBondContact O-N 2.66Å; I335-S353 CarbonylContact C-O 3.42Å; I335-S353 WeakPolarHBondContact CA-O 3.32Å; I335-Y417 HydrophobicContact CD1-CE1 4.4Å; I335-Y417 WeakPolarHBondContact CD1-OH 3.13Å
336	C	81.8	Confident	74.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.007	36%	0.364	C	S	.	.			trans	-61.3	-45.6	-169.8	-172.2	0	0	0	0	112.8	Q334 R338 C351 S353 H356	Q334-C336 PolarHBondContact O-N 3.37Å; C336-R338 PolarHBondContact O-N 2.9Å; C336-C351 HydrophobicContact CB-CB 3.93Å; C336-S353 VanDerWaalsContact CB-O 3.29Å; C336-S353 WeakPolarHBondContact CB-O 3.4Å; C336-S353 PolarHBondContact N-O 3.17Å; C336-H356 PolarHBondContact SG-NE2 3.29Å
337	K	77.8	Confident	74.9	Confident	125 Å²	125	65 Å²	65	54%	0.543	36%	0.361	S	S	.	.			trans	53.3	4.7	179.9	-62.1	-159.9	177.2	-169.1	0	117.1	I335 C351	I335-K337 HydrophobicContact CB-CG 4.34Å; I335-K337 HydrophobicContact CG2-CG 3.85Å; I335-K337 PolarHBondContact O-N 2.66Å; K337-C351 WeakPolarHBondContact CA-O 3.19Å; K337-C351 PolarHBondContact N-O 2.7Å
338	R	80.9	Confident	75.4	Confident	67 Å²	67	62 Å²	62	25%	0.253	34%	0.338	S	S	.	.			trans	-56.1	141.9	168.6	-63	-171.2	-144.5	131.1	10.2	110	P314 C336 T350 C351 H356 G358 C360	P314-R338 PolarHBondContact O-NE 3.15Å; P314-R338 PolarHBondContact O-NH2 2.93Å; C336-R338 PolarHBondContact O-N 2.9Å; R338-T350 CarbonylContact O-C 3.59Å; R338-T350 WeakPolarHBondContact O-CA 3.48Å; R338-C351 PolarHBondContact O-N 3.15Å; R338-H356 PolarHBondContact NH1-CE1 3.24Å; R338-H356 PolarHBondContact NH2-O 3.23Å; R338-G358 PolarHBondContact NH1-O 3.36Å; R338-C360 PolarHBondContact NH1-SG 3.4Å
339	Q	79.1	Confident	75.9	Confident	132 Å²	132	57.4 Å²	57.4	62%	0.617	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-69.5	140.1	173.6	-68.5	-168.7	-65.1	0	0	111.3	S341 T350	Q339-S341 VanDerWaalsContact C-N 3.25Å; Q339-S341 PolarHBondContact O-N 2.82Å; Q339-T350 HydrophobicContact CG-CG2 4.08Å
340	L	77	Confident	76.5	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.063	32%	0.317	C	S	.	.			trans	-88.7	39.6	-175.4	-62.2	177.9	0	0	0	112.4	F342 N343 C344 H349 C351 C360 C363	L340-F342 PolarHBondContact O-N 2.82Å; L340-N343 CarbonylContact O-C 3.58Å; L340-N343 PolarHBondContact O-N 2.97Å; L340-C344 HydrophobicContact CB-CB 3.71Å; L340-C344 WeakPolarHBondContact O-CB 3.25Å; L340-C344 PolarHBondContact O-N 3.05Å; L340-H349 WeakPolarHBondContact CB-O 3.43Å; L340-H349 HydrophobicContact CD1-CB 4.43Å; L340-H349 PolarHBondContact N-O 2.84Å; L340-C351 HydrophobicContact CD2-CB 3.86Å; L340-C360 HydrophobicContact CD2-CB 3.38Å; L340-C363 HydrophobicContact CD1-CB 3.83Å
341	S	65.4	Low	76.8	Confident	93 Å²	93	51.8 Å²	51.8	65%	0.65	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.5	-167.2	56.4	0	0	0	0	116.1	Q339	Q339-S341 VanDerWaalsContact C-N 3.25Å; Q339-S341 PolarHBondContact O-N 2.82Å
342	F	65.1	Low	76.6	Confident	139 Å²	139	53.3 Å²	53.3	61%	0.61	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-13.8	175.6	-125	-70.5	0	0	0	114.4	H91 L340	H91-F342 AromaticContact CE1-CD1 3.91Å; H91-F342 AromaticContact CE1-CE1 3.37Å; H91-F342 WeakPolarHBondContact CE1-CE1 3.44Å; H91-F342 AromaticContact NE2-CE1 3.99Å; L340-F342 PolarHBondContact O-N 2.82Å
343	N	67.5	Low	76.3	Confident	54 Å²	54	53.7 Å²	53.7	29%	0.289	30%	0.298	S	S	.	.	S	Bend	trans	-123.6	21.3	-167.6	-80.3	4.7	0	0	0	112.3	L340 C360 C363 G384	L340-N343 CarbonylContact O-C 3.58Å; L340-N343 PolarHBondContact O-N 2.97Å; N343-C360 PolarHBondContact ND2-O 3.23Å; N343-C363 VanDerWaalsContact O-CB 3.31Å; N343-C363 WeakPolarHBondContact O-CB 3.48Å; N343-C363 PolarHBondContact O-N 3.17Å; N343-G384 WeakPolarHBondContact O-CA 2.9Å
344	C	77.1	Confident	76.4	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.081	30%	0.301	C	S	.	.			trans	-151.8	121.2	-177	174.5	0	0	0	0	109.1	L340 T346 G347 H349 C363	L340-C344 HydrophobicContact CB-CB 3.71Å; L340-C344 WeakPolarHBondContact O-CB 3.25Å; L340-C344 PolarHBondContact O-N 3.05Å; C344-T346 PolarHBondContact O-N 2.83Å; C344-T346 PolarHBondContact SG-OG1 2.97Å; C344-G347 PolarHBondContact O-N 2.9Å; C344-H349 HydrophobicContact CB-CB 4.49Å; C344-H349 VanDerWaalsContact SG-CG 3.6Å; C344-H349 PolarHBondContact SG-ND1 2.92Å; C344-C363 HydrophobicContact CB-CB 3.9Å
345	A	72.5	Confident	76.7	Confident	44 Å²	44	50.8 Å²	50.8	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.2	-178.7	0	0	0	0	0	114.1	C383 I388 F393	A345-C383 PolarHBondContact N-O 2.84Å; A345-C383 PolarHBondContact N-SG 2.79Å; A345-C383 VanDerWaalsContact N-SG 3.44Å; A345-I388 HydrophobicContact CB-CB 4.23Å; A345-I388 HydrophobicContact CB-CG1 3.53Å; A345-I388 HydrophobicContact CB-CG2 3.65Å; A345-F393 HydrophobicContact CB-CE2 4.13Å; A345-F393 HydrophobicContact CB-CZ 4.43Å
346	T	71.9	Confident	76.9	Confident	18 Å²	18	50.2 Å²	50.2	11%	0.11	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.1	-178.3	69.7	0	0	0	0	113.5	C344 F348 H349 I367 L401	C344-T346 PolarHBondContact O-N 2.83Å; C344-T346 PolarHBondContact SG-OG1 2.97Å; T346-F348 VanDerWaalsContact CB-CE1 3.44Å; T346-F348 VanDerWaalsContact CB-CZ 3.49Å; T346-F348 HydrophobicContact CG2-CE1 4.28Å; T346-F348 HydrophobicContact CG2-CZ 3.99Å; T346-F348 WeakPolarHBondContact O-CD1 3.45Å; T346-F348 PolarHBondContact O-N 3.44Å; T346-F348 WeakPolarHBondContact OG1-CE2 3.19Å; T346-F348 WeakPolarHBondContact OG1-CZ 3.37Å; T346-H349 PolarHBondContact OG1-CE1 2.79Å; T346-I367 HydrophobicContact CG2-CD1 4.43Å; T346-L401 HydrophobicContact CG2-CB 4.39Å; T346-L401 HydrophobicContact CG2-CD1 3.91Å
347	G	74.3	Confident	76.8	Confident	28 Å²	28	56 Å²	56	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	69.8	-25.7	179.2	0	0	0	0	0	116.8	C344	C344-G347 PolarHBondContact O-N 2.9Å
348	F	78.6	Confident	76.7	Confident	31 Å²	31	52.9 Å²	52.9	14%	0.136	30%	0.3	C	S	.	.			trans	-84.9	-22.7	-171.7	48	-109.4	0	0	0	115.7	T346 L401 R402 F405	T346-F348 VanDerWaalsContact CB-CE1 3.44Å; T346-F348 VanDerWaalsContact CB-CZ 3.49Å; T346-F348 HydrophobicContact CG2-CE1 4.28Å; T346-F348 HydrophobicContact CG2-CZ 3.99Å; T346-F348 WeakPolarHBondContact O-CD1 3.45Å; T346-F348 PolarHBondContact O-N 3.44Å; T346-F348 WeakPolarHBondContact OG1-CE2 3.19Å; T346-F348 WeakPolarHBondContact OG1-CZ 3.37Å; F348-L401 WeakPolarHBondContact CE2-O 3.46Å; F348-L401 VanDerWaalsContact CZ-C 3.42Å; F348-L401 HydrophobicContact CZ-CB 3.79Å; F348-L401 WeakPolarHBondContact CZ-O 3.41Å; F348-R402 HydrophobicContact CD1-CB 4.45Å; F348-R402 HydrophobicContact CD1-CG 4.42Å; F348-R402 HydrophobicContact CE1-CB 3.85Å; F348-R402 HydrophobicContact CE1-CG 4.31Å; F348-R402 VanDerWaalsContact CZ-CA 3.49Å; F348-R402 HydrophobicContact CZ-CB 3.93Å; F348-F405 HydrophobicContact CB-CD1 4.48Å; F348-F405 HydrophobicContact CD2-CB 4.05Å; F348-F405 AromaticContact CD2-CD1 3.51Å; F348-F405 HydrophobicContact CD2-CD1 3.51Å; F348-F405 HydrophobicContact CD2-CE1 4.14Å; F348-F405 AromaticContact CD2-CG 3.95Å; F348-F405 HydrophobicContact CD2-CG 3.95Å; F348-F405 HydrophobicContact CE2-CB 3.81Å; F348-F405 HydrophobicContact CE2-CD1 4.18Å; F348-F405 HydrophobicContact CE2-CG 4.2Å; F348-F405 HydrophobicContact CG-CD1 4.38Å; F348-F405 WeakPolarHBondContact O-CE1 3.15Å
349	H	78.3	Confident	76.5	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	31%	0.313	C	S	.	.			trans	-61.6	146.8	179.9	-57.8	145.7	0	0	0	113.4	L340 C344 T346 C363 W365 F405	L340-H349 WeakPolarHBondContact CB-O 3.43Å; L340-H349 HydrophobicContact CD1-CB 4.43Å; L340-H349 PolarHBondContact N-O 2.84Å; C344-H349 HydrophobicContact CB-CB 4.49Å; C344-H349 VanDerWaalsContact SG-CG 3.6Å; C344-H349 PolarHBondContact SG-ND1 2.92Å; T346-H349 PolarHBondContact OG1-CE1 2.79Å; H349-C363 PolarHBondContact ND1-SG 3.34Å; H349-W365 AromaticContact CE1-CD2 3.61Å; H349-W365 AromaticContact CE1-CE3 3.82Å; H349-W365 AromaticContact CE1-CG 3.49Å; H349-W365 VanDerWaalsContact CE1-CG 3.49Å; H349-W365 AromaticContact ND1-CG 3.84Å; H349-W365 AromaticContact NE2-CD2 3.43Å; H349-W365 AromaticContact NE2-CE2 3.99Å; H349-W365 AromaticContact NE2-CE3 3.51Å; H349-W365 AromaticContact NE2-CG 3.8Å; H349-F405 AromaticContact CD2-CD2 3.48Å; H349-F405 VanDerWaalsContact CD2-CD2 3.48Å; H349-F405 WeakPolarHBondContact CD2-CD2 3.41Å; H349-F405 AromaticContact CD2-CE2 3.8Å; H349-F405 AromaticContact CD2-CG 3.62Å
350	T	82.5	Confident	76.6	Confident	32 Å²	32	47.7 Å²	47.7	20%	0.196	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-111.8	156.8	-178.7	52.5	0	0	0	0	112.2	R338 Q339 L352 F405	R338-T350 CarbonylContact O-C 3.59Å; R338-T350 WeakPolarHBondContact O-CA 3.48Å; Q339-T350 HydrophobicContact CG-CG2 4.08Å; T350-L352 PolarHBondContact O-N 3.19Å; T350-F405 HydrophobicContact CG2-CZ 4.48Å
351	C	81	Confident	76.5	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.02	31%	0.31	C	S	.	.			trans	-72.8	115.2	179	-172	0	0	0	0	111.4	C336 K337 R338 L340 C360	C336-C351 HydrophobicContact CB-CB 3.93Å; K337-C351 WeakPolarHBondContact CA-O 3.19Å; K337-C351 PolarHBondContact N-O 2.7Å; R338-C351 PolarHBondContact O-N 3.15Å; L340-C351 HydrophobicContact CD2-CB 3.86Å; C351-C360 HydrophobicContact CB-CB 3.98Å
352	L	78.6	Confident	77.1	Confident	74 Å²	74	50.4 Å²	50.4	39%	0.387	30%	0.299	S	S	.	.			trans	-87.6	-11.7	-179.6	-60.4	176.3	0	0	0	113.9	T350 F408 M412	T350-L352 PolarHBondContact O-N 3.19Å; L352-F408 HydrophobicContact CD1-CE1 4.11Å; L352-F408 HydrophobicContact CD1-CZ 4.4Å; L352-M412 HydrophobicContact CD1-CE 4.16Å; L352-M412 HydrophobicContact CD2-CE 4.09Å; L352-M412 HydrophobicContact CD2-SD 3.98Å
353	S	74.7	Confident	77.9	Confident	46 Å²	46	44 Å²	44	32%	0.322	27%	0.271	S	S	.	.	S	Bend	trans	-66.4	159.2	174.5	-50.2	0	0	0	0	111.9	I335 C336	I335-S353 CarbonylContact C-O 3.42Å; I335-S353 WeakPolarHBondContact CA-O 3.32Å; C336-S353 VanDerWaalsContact CB-O 3.29Å; C336-S353 WeakPolarHBondContact CB-O 3.4Å; C336-S353 PolarHBondContact N-O 3.17Å
354	T	82.8	Confident	78.5	Confident	95 Å²	95	46.8 Å²	46.8	58%	0.583	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-57.6	163.5	167	49.2	0	0	0	0	111.7	G333 H356	G333-T354 WeakPolarHBondContact O-CB 3.38Å; G333-T354 WeakPolarHBondContact O-CG2 3.48Å; T354-H356 PolarHBondContact O-CD2 3.28Å; T354-H356 PolarHBondContact O-N 3.33Å
355	C	86.1	Confident	78.7	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-57.9	126.1	178.8	-176.5	0	0	0	0	110.2	C315 P331 C332 Q334	C315-C355 HydrophobicContact CB-CB 4.4Å; C315-C355 PolarHBondContact SG-SG 3.47Å; P331-C355 HydrophobicContact CB-CB 4.06Å; P331-C355 WeakPolarHBondContact CB-O 3.49Å; C332-C355 PolarHBondContact N-SG 3.36Å; Q334-C355 WeakPolarHBondContact O-CB 3.47Å; Q334-C355 PolarHBondContact O-N 3.31Å
356	H	81.6	Confident	79.3	Confident	37 Å²	37	46.7 Å²	46.7	17%	0.171	27%	0.274	C	S	.	.			trans	-135.7	156.4	-173.8	66.6	80.2	0	0	0	110.9	P314 C336 R338 T354 G358 S359 C360	P314-H356 WeakPolarHBondContact CB-O 3.3Å; C336-H356 PolarHBondContact SG-NE2 3.29Å; R338-H356 PolarHBondContact NH1-CE1 3.24Å; R338-H356 PolarHBondContact NH2-O 3.23Å; T354-H356 PolarHBondContact O-CD2 3.28Å; T354-H356 PolarHBondContact O-N 3.33Å; H356-G358 PolarHBondContact CE1-O 2.68Å; H356-S359 PolarHBondContact CE1-O 3.41Å; H356-C360 VanDerWaalsContact CE1-CA 3.43Å; H356-C360 WeakPolarHBondContact CE1-CA 3.3Å; H356-C360 PolarHBondContact NE2-SG 3.16Å
357	Y	79.6	Confident	80	Confident	124 Å²	124	45.8 Å²	45.8	49%	0.486	27%	0.269	S	S	.	.	S	Bend	trans	-70.6	155.5	170.5	-73.4	-67.4	0	0	0	112	P314 L329 Q330 P331	P314-Y357 HydrophobicContact CB-CD1 4.49Å; P314-Y357 HydrophobicContact CG-CD1 3.54Å; P314-Y357 HydrophobicContact CG-CE1 3.63Å; P314-Y357 HydrophobicContact CG-CG 4.35Å; L329-Y357 PolarHBondContact O-OH 3.04Å; Q330-Y357 VanDerWaalsContact CD-OH 3.3Å; Q330-Y357 PolarHBondContact NE2-OH 2.98Å; Q330-Y357 PolarHBondContact OE1-OH 2.81Å; Q330-Y357 VanDerWaalsContact OE1-OH 3.11Å; P331-Y357 HydrophobicContact CG-CD2 3.78Å; P331-Y357 HydrophobicContact CG-CE2 3.48Å; P331-Y357 VanDerWaalsContact CG-CE2 3.48Å; P331-Y357 HydrophobicContact CG-CG 4.43Å
358	G	75.4	Confident	80.6	Confident	58 Å²	58	45.1 Å²	45.1	60%	0.598	26%	0.258	S	S	*	.	S	Bend	trans	67.8	-160.4	175.7	0	0	0	0	0	115.7	R338 H356	R338-G358 PolarHBondContact NH1-O 3.36Å; H356-G358 PolarHBondContact CE1-O 2.68Å
359	S	78.5	Confident	81	Confident	76 Å²	76	43.9 Å²	43.9	53%	0.531	25%	0.253	S	S	.	.	S	Bend	trans	-67.6	144.5	179.1	53.8	0	0	0	0	112.6	H356	H356-S359 PolarHBondContact CE1-O 3.41Å
360	C	80.6	Confident	81.4	Confident	14 Å²	14	44.6 Å²	44.6	10%	0.095	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.9	152.8	176.7	-57.2	0	0	0	0	112.5	R338 L340 N343 C351 H356	R338-C360 PolarHBondContact NH1-SG 3.4Å; L340-C360 HydrophobicContact CD2-CB 3.38Å; N343-C360 PolarHBondContact ND2-O 3.23Å; C351-C360 HydrophobicContact CB-CB 3.98Å; H356-C360 VanDerWaalsContact CE1-CA 3.43Å; H356-C360 WeakPolarHBondContact CE1-CA 3.3Å; H356-C360 PolarHBondContact NE2-SG 3.16Å
361	N	74.9	Confident	81.6	Confident	98 Å²	98	43.3 Å²	43.3	52%	0.524	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-62.1	157.7	177.3	-70.5	-10.1	0	0	0	112.4
362	P	78.3	Confident	81.7	Confident	65 Å²	65	45.4 Å²	45.4	42%	0.422	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56.1	145.8	172.4	-24.9	35.4	0	0	0	112.9	Q364	P362-Q364 PolarHBondContact O-N 3.26Å; P362-Q364 PolarHBondContact O-NE2 3.43Å
363	C	81.2	Confident	81.7	Confident	3 Å²	3	43 Å²	43	2%	0.02	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65	131.9	177.4	-174.5	0	0	0	0	112.2	L340 N343 C344 H349 I382 C383 G384	L340-C363 HydrophobicContact CD1-CB 3.83Å; N343-C363 VanDerWaalsContact O-CB 3.31Å; N343-C363 WeakPolarHBondContact O-CB 3.48Å; N343-C363 PolarHBondContact O-N 3.17Å; C344-C363 HydrophobicContact CB-CB 3.9Å; H349-C363 PolarHBondContact ND1-SG 3.34Å; C363-I382 WeakPolarHBondContact O-CG2 3.49Å; C363-C383 HydrophobicContact CB-CB 4.32Å; C363-G384 WeakPolarHBondContact O-CA 3.41Å; C363-G384 PolarHBondContact O-N 2.88Å
364	Q	80.5	Confident	81.8	Confident	113 Å²	113	42.8 Å²	42.8	53%	0.528	26%	0.255	S	S	.	.			trans	-97	8.9	-175.4	-57.4	-58.3	-50.7	0	0	114.4	P362	P362-Q364 PolarHBondContact O-N 3.26Å; P362-Q364 PolarHBondContact O-NE2 3.43Å
365	W	80.8	Confident	81.5	Confident	11 Å²	11	43 Å²	43	4%	0.042	25%	0.249	C	C	.	.			trans	-68.8	139.2	177.2	-84.7	52.7	0	0	0	111.3	H349 I382 C383 A404 F405 F408 L475 V477	H349-W365 AromaticContact CE1-CD2 3.61Å; H349-W365 AromaticContact CE1-CE3 3.82Å; H349-W365 AromaticContact CE1-CG 3.49Å; H349-W365 VanDerWaalsContact CE1-CG 3.49Å; H349-W365 AromaticContact ND1-CG 3.84Å; H349-W365 AromaticContact NE2-CD2 3.43Å; H349-W365 AromaticContact NE2-CE2 3.99Å; H349-W365 AromaticContact NE2-CE3 3.51Å; H349-W365 AromaticContact NE2-CG 3.8Å; W365-I382 CarbonylContact O-C 3.6Å; W365-I382 WeakPolarHBondContact O-CA 3.3Å; W365-C383 HydrophobicContact CB-CB 3.96Å; W365-C383 WeakPolarHBondContact O-CB 3.4Å; W365-C383 PolarHBondContact O-N 3.11Å; W365-A404 HydrophobicContact CZ3-CB 4.11Å; W365-F405 VanDerWaalsContact CH2-CA 3.49Å; W365-F405 HydrophobicContact CH2-CB 4.05Å; W365-F405 HydrophobicContact CH2-CD2 4.18Å; W365-F405 HydrophobicContact CZ2-CB 4.45Å; W365-F405 AromaticContact CZ2-CD2 3.72Å; W365-F405 HydrophobicContact CZ2-CD2 3.72Å; W365-F405 HydrophobicContact CZ3-CB 4.33Å; W365-F408 HydrophobicContact CH2-CB 3.69Å; W365-F408 HydrophobicContact CH2-CG 4.08Å; W365-F408 HydrophobicContact CZ2-CB 3.63Å; W365-F408 AromaticContact CZ2-CD1 3.72Å; W365-F408 HydrophobicContact CZ2-CD1 3.72Å; W365-F408 HydrophobicContact CZ2-CD2 4.05Å; W365-F408 HydrophobicContact CZ2-CE1 4.32Å; W365-F408 AromaticContact CZ2-CG 3.55Å; W365-F408 HydrophobicContact CZ2-CG 3.55Å; W365-L475 HydrophobicContact CG-CD2 4.42Å; W365-L475 HydrophobicContact CZ2-CD2 4.45Å; W365-V477 HydrophobicContact CE3-CG2 3.87Å; W365-V477 HydrophobicContact CZ3-CG2 3.59Å
366	I	84.8	Confident	81.2	Confident	43 Å²	43	44.9 Å²	44.9	22%	0.221	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.8	-177.3	-50.5	176.3	0	0	0	109.2	K380 L475 L476 V477	I366-K380 HydrophobicContact CG2-CB 4.16Å; I366-L475 PolarHBondContact N-O 3.3Å; I366-L476 HydrophobicContact CB-CD1 3.99Å; I366-L476 HydrophobicContact CG2-CD1 3.61Å; I366-L476 WeakPolarHBondContact O-CA 3.49Å; I366-V477 PolarHBondContact O-N 3.22Å
367	I	85.8	Confident	81.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.5	-178.6	-60.9	175.5	0	0	0	108.1	T346 K380 L381 C383 I388 F393 L401 V477 I479	T346-I367 HydrophobicContact CG2-CD1 4.43Å; I367-K380 WeakPolarHBondContact O-CA 3.27Å; I367-L381 PolarHBondContact N-O 2.95Å; I367-L381 PolarHBondContact O-N 2.81Å; I367-C383 HydrophobicContact CD1-CB 4.06Å; I367-I388 HydrophobicContact CB-CD1 4.41Å; I367-I388 HydrophobicContact CD1-CD1 4.01Å; I367-F393 HydrophobicContact CD1-CE1 4.47Å; I367-F393 HydrophobicContact CD1-CZ 4.4Å; I367-F393 HydrophobicContact CG2-CE1 4.48Å; I367-L401 HydrophobicContact CD1-CD1 4.32Å; I367-L401 HydrophobicContact CD1-CD2 3.89Å; I367-L401 HydrophobicContact CG1-CD2 3.82Å; I367-L401 HydrophobicContact CG2-CD2 4.25Å; I367-V477 CarbonylContact C-O 3.59Å; I367-V477 WeakPolarHBondContact CA-O 3.44Å; I367-I479 HydrophobicContact CG2-CD1 3.52Å; I367-I479 HydrophobicContact CG2-CG1 3.78Å
368	E	88.4	Confident	81.3	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.065	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.2	177.4	-168.1	178.3	137.5	0	0	109.5	N378 V379 K380 L476 V477 K478 I479	E368-N378 PolarHBondContact OE1-ND2 2.98Å; E368-V379 WeakPolarHBondContact CA-O 3.39Å; E368-K380 HydrophobicContact CB-CG 4.37Å; E368-K380 HydrophobicContact CG-CG 4.06Å; E368-K380 WeakPolarHBondContact OE2-CE 3.3Å; E368-L476 HydrophobicContact CB-CD1 4.11Å; E368-V477 PolarHBondContact N-O 3.09Å; E368-K478 HydrophobicContact CB-CB 4.48Å; E368-K478 HydrophobicContact CB-CG 4.11Å; E368-K478 VanDerWaalsContact CD-CE 3.49Å; E368-K478 VanDerWaalsContact CD-NZ 3.28Å; E368-K478 WeakPolarHBondContact O-CA 3.25Å; E368-K478 WeakPolarHBondContact OE1-CD 3.23Å; E368-K478 WeakPolarHBondContact OE1-CE 3.39Å; E368-K478 IonicContact OE1-NZ 2.78Å; E368-K478 PolarHBondContact OE1-NZ 3.29Å; E368-K478 WeakPolarHBondContact OE2-CE 3.17Å; E368-K478 IonicContact OE2-NZ 3.06Å; E368-K478 PolarHBondContact OE2-NZ 3.19Å; E368-K478 VanDerWaalsContact OE2-NZ 3.15Å; E368-I479 WeakPolarHBondContact O-CG1 3.23Å; E368-I479 PolarHBondContact O-N 3.01Å
369	T	87.3	Confident	81.7	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	178.2	-173.7	-172.5	0	0	0	0	111	V379 L381 G480 S482 F483	T369-V379 HydrophobicContact CG2-CB 4.22Å; T369-V379 PolarHBondContact N-O 2.74Å; T369-V379 PolarHBondContact O-N 2.96Å; T369-L381 HydrophobicContact CG2-CD1 4.02Å; T369-G480 PolarHBondContact OG1-O 3.32Å; T369-S482 PolarHBondContact OG1-N 3.33Å; T369-S482 VanDerWaalsContact OG1-N 3.16Å; T369-S482 PolarHBondContact OG1-OG 2.7Å; T369-F483 HydrophobicContact CG2-CB 4.09Å
370	A	86.1	Confident	82.2	Confident	18 Å²	18	48 Å²	48	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	158.8	176.7	0	0	0	0	0	112	D376 P481 S482 F483	A370-D376 CarbonylContact C-O 3.52Å; A370-D376 WeakPolarHBondContact CA-O 3.31Å; A370-P481 HydrophobicContact CB-CB 4.13Å; A370-P481 CarbonylContact O-C 3.52Å; A370-P481 VanDerWaalsContact O-CA 3.32Å; A370-P481 WeakPolarHBondContact O-CA 3.26Å; A370-S482 PolarHBondContact O-N 3.22Å; A370-F483 PolarHBondContact O-N 2.98Å; A370-F483 VanDerWaalsContact O-N 3.16Å
371	C	86.2	Confident	82.4	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.8	174.6	-173	0	0	0	0	112.2	C373 G374 D376 F483 C485 C504	C371-C373 HydrophobicContact CB-CB 4.33Å; C371-C373 WeakPolarHBondContact CB-SG 3.49Å; C371-C373 PolarHBondContact O-N 2.85Å; C371-C373 VanDerWaalsContact O-N 3.08Å; C371-C373 WeakPolarHBondContact SG-CB 3.48Å; C371-C373 PolarHBondContact SG-N 3.04Å; C371-C373 CovalentContact SG-SG 2.05Å; C371-C373 PolarHBondContact SG-SG 2.82Å; C371-G374 PolarHBondContact O-N 3.37Å; C371-D376 HydrophobicContact CB-CB 4.17Å; C371-D376 PolarHBondContact N-O 2.87Å; C371-F483 CarbonylContact C-O 3.54Å; C371-F483 VanDerWaalsContact CA-O 3.27Å; C371-F483 WeakPolarHBondContact CA-O 3.2Å; C371-F483 HydrophobicContact CB-CD1 4.34Å; C371-C485 VanDerWaalsContact SG-SG 3.61Å; C371-C504 VanDerWaalsContact SG-SG 3.63Å
372	F	83	Confident	82.8	Confident	47 Å²	47	46.8 Å²	46.8	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.7	166.7	-61.8	-59.7	0	0	0	113.6	T392 P481 S482 F483	F372-T392 VanDerWaalsContact CZ-OG1 3.32Å; F372-T392 WeakPolarHBondContact CZ-OG1 3.39Å; F372-P481 VanDerWaalsContact CE1-O 3.26Å; F372-P481 WeakPolarHBondContact CE1-O 3.48Å; F372-S482 VanDerWaalsContact CE2-C 3.45Å; F372-S482 WeakPolarHBondContact CE2-O 3.48Å; F372-S482 WeakPolarHBondContact CZ-O 3.38Å; F372-F483 WeakPolarHBondContact CD2-O 3.34Å; F372-F483 PolarHBondContact N-O 3.4Å
373	C	78.2	Confident	83.1	Confident	24 Å²	24	43.7 Å²	43.7	16%	0.162	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.7	176	63.5	0	0	0	0	114.8	C371 Q375 C485	C371-C373 HydrophobicContact CB-CB 4.33Å; C371-C373 WeakPolarHBondContact CB-SG 3.49Å; C371-C373 PolarHBondContact O-N 2.85Å; C371-C373 VanDerWaalsContact O-N 3.08Å; C371-C373 WeakPolarHBondContact SG-CB 3.48Å; C371-C373 PolarHBondContact SG-N 3.04Å; C371-C373 CovalentContact SG-SG 2.05Å; C371-C373 PolarHBondContact SG-SG 2.82Å; C373-Q375 HydrophobicContact CB-CG 4.25Å; C373-Q375 PolarHBondContact O-N 3.41Å; C373-Q375 VanDerWaalsContact O-N 3.14Å; C373-C485 PolarHBondContact SG-SG 3.31Å
374	G	77.9	Confident	82.9	Confident	42 Å²	42	44.6 Å²	44.6	43%	0.433	24%	0.241	S	C	.	.	S	Bend	trans	67.9	0.2	-173.9	0	0	0	0	0	116.2	C371 N377	C371-G374 PolarHBondContact O-N 3.37Å; G374-N377 PolarHBondContact O-ND2 2.95Å; G374-N377 PolarHBondContact O-OD1 2.84Å
375	Q	76.4	Confident	83	Confident	98 Å²	98	41 Å²	41	46%	0.458	23%	0.228	S	C	.	.	S	Bend	trans	-71.9	-44.7	176.6	-61.9	178.9	-5.1	0	0	111.5	C373 R487	C373-Q375 HydrophobicContact CB-CG 4.25Å; C373-Q375 PolarHBondContact O-N 3.41Å; C373-Q375 VanDerWaalsContact O-N 3.14Å; Q375-R487 VanDerWaalsContact OE1-CD 3.28Å
376	D	80.7	Confident	83	Confident	49 Å²	49	45.2 Å²	45.2	26%	0.262	25%	0.252	S	S	.	.			trans	-109.8	97.7	-177.2	-40.6	-66	0	0	0	109.5	A370 C371 V379 R487	A370-D376 CarbonylContact C-O 3.52Å; A370-D376 WeakPolarHBondContact CA-O 3.31Å; C371-D376 HydrophobicContact CB-CB 4.17Å; C371-D376 PolarHBondContact N-O 2.87Å; D376-V379 HydrophobicContact CB-CG2 3.71Å; D376-R487 IonicContact OD1-NH1 2.74Å; D376-R487 PolarHBondContact OD1-NH1 3.39Å; D376-R487 IonicContact OD2-NH1 3.55Å
377	N	78.9	Confident	82.7	Confident	115 Å²	115	47 Å²	47	62%	0.615	26%	0.259	S	S	*	.	S	Bend	trans	-92.6	-7.2	-172.8	-72.9	-31.5	0	0	0	115.3	G374	G374-N377 PolarHBondContact O-ND2 2.95Å; G374-N377 PolarHBondContact O-OD1 2.84Å
378	N	83.6	Confident	82.5	Confident	95 Å²	95	47.4 Å²	47.4	51%	0.508	26%	0.261	S	S	.	.			trans	-139.2	72.7	177.2	-156	-68	0	0	0	111.1	E368 K380	E368-N378 PolarHBondContact OE1-ND2 2.98Å; N378-K380 VanDerWaalsContact OD1-CE 3.25Å; N378-K380 WeakPolarHBondContact OD1-CE 2.9Å
379	V	84.5	Confident	82	Confident	21 Å²	21	55 Å²	55	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111	179.8	-165.3	0	0	0	0	108.7	E368 T369 D376 L381 F483	E368-V379 WeakPolarHBondContact CA-O 3.39Å; T369-V379 HydrophobicContact CG2-CB 4.22Å; T369-V379 PolarHBondContact N-O 2.74Å; T369-V379 PolarHBondContact O-N 2.96Å; D376-V379 HydrophobicContact CB-CG2 3.71Å; V379-L381 HydrophobicContact CG1-CD1 4.12Å; V379-L381 HydrophobicContact CG1-CD2 3.7Å; V379-L381 HydrophobicContact CG1-CG 3.82Å; V379-F483 HydrophobicContact CG1-CD1 4.33Å; V379-F483 HydrophobicContact CG1-CD2 4.38Å; V379-F483 HydrophobicContact CG1-CE1 4.25Å; V379-F483 HydrophobicContact CG1-CE2 4.29Å; V379-F483 HydrophobicContact CG1-CG 4.39Å; V379-F483 HydrophobicContact CG1-CZ 4.23Å; V379-F483 HydrophobicContact CG2-CD1 4.12Å; V379-F483 HydrophobicContact CG2-CE1 4.43Å
380	K	87.7	Confident	81.7	Confident	130 Å²	130	57.9 Å²	57.9	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	177.2	-67.9	178.1	-178.2	174.3	0	110.2	I366 I367 E368 N378	I366-K380 HydrophobicContact CG2-CB 4.16Å; I367-K380 WeakPolarHBondContact O-CA 3.27Å; E368-K380 HydrophobicContact CB-CG 4.37Å; E368-K380 HydrophobicContact CG-CG 4.06Å; E368-K380 WeakPolarHBondContact OE2-CE 3.3Å; N378-K380 VanDerWaalsContact OD1-CE 3.25Å; N378-K380 WeakPolarHBondContact OD1-CE 2.9Å
381	L	84.4	Confident	81.5	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.063	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131	-169.7	-61.1	176.1	0	0	0	111.8	I367 T369 V379 E387 I388 C391 F483	I367-L381 PolarHBondContact N-O 2.95Å; I367-L381 PolarHBondContact O-N 2.81Å; T369-L381 HydrophobicContact CG2-CD1 4.02Å; V379-L381 HydrophobicContact CG1-CD1 4.12Å; V379-L381 HydrophobicContact CG1-CD2 3.7Å; V379-L381 HydrophobicContact CG1-CG 3.82Å; L381-E387 HydrophobicContact CD2-CB 3.86Å; L381-I388 HydrophobicContact CB-CD1 3.67Å; L381-I388 HydrophobicContact CD1-CD1 4.01Å; L381-C391 WeakPolarHBondContact CD1-SG 3.42Å; L381-F483 HydrophobicContact CD1-CD2 3.73Å; L381-F483 HydrophobicContact CD1-CE2 4.11Å; L381-F483 HydrophobicContact CD2-CE2 4.37Å
382	I	83.9	Confident	81.3	Confident	74 Å²	74	61.7 Å²	61.7	38%	0.379	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.6	174.7	-63.2	172.8	0	0	0	109.4	C363 W365 G384 S385	C363-I382 WeakPolarHBondContact O-CG2 3.49Å; W365-I382 CarbonylContact O-C 3.6Å; W365-I382 WeakPolarHBondContact O-CA 3.3Å; I382-G384 PolarHBondContact O-N 3.5Å; I382-G384 VanDerWaalsContact O-N 3.15Å; I382-S385 WeakPolarHBondContact O-CB 3.12Å; I382-S385 PolarHBondContact O-N 3.09Å; I382-S385 PolarHBondContact O-OG 2.97Å
383	C	84.7	Confident	81.3	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.6	-173.2	-174.8	0	0	0	0	114.4	A345 C363 W365 I367	A345-C383 PolarHBondContact N-O 2.84Å; A345-C383 PolarHBondContact N-SG 2.79Å; A345-C383 VanDerWaalsContact N-SG 3.44Å; C363-C383 HydrophobicContact CB-CB 4.32Å; W365-C383 HydrophobicContact CB-CB 3.96Å; W365-C383 WeakPolarHBondContact O-CB 3.4Å; W365-C383 PolarHBondContact O-N 3.11Å; I367-C383 HydrophobicContact CD1-CB 4.06Å
384	G	77.5	Confident	81.4	Confident	21 Å²	21	62.9 Å²	62.9	22%	0.216	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.6	171	0	0	0	0	0	115.6	N343 C363 I382	N343-G384 WeakPolarHBondContact O-CA 2.9Å; C363-G384 WeakPolarHBondContact O-CA 3.41Å; C363-G384 PolarHBondContact O-N 2.88Å; I382-G384 PolarHBondContact O-N 3.5Å; I382-G384 VanDerWaalsContact O-N 3.15Å
385	S	82.1	Confident	81.7	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	35%	0.349	S	S	.	.	S	Bend	trans	-75.4	169.9	178.9	72.1	0	0	0	0	112.5	I382 E387 I388	I382-S385 WeakPolarHBondContact O-CB 3.12Å; I382-S385 PolarHBondContact O-N 3.09Å; I382-S385 PolarHBondContact O-OG 2.97Å; S385-E387 PolarHBondContact OG-N 3.02Å; S385-I388 VanDerWaalsContact O-CG2 3.27Å; S385-I388 WeakPolarHBondContact O-CG2 3.43Å; S385-I388 PolarHBondContact OG-N 2.76Å
386	N	80	Confident	82.1	Confident	101 Å²	101	69.6 Å²	69.6	54%	0.54	36%	0.359	S	S	.	.	S	Bend	trans	-77.2	-25.5	168	-64.9	-55.5	0	0	0	112.2	I388 R389	N386-I388 VanDerWaalsContact C-N 3.28Å; N386-I388 PolarHBondContact O-N 3.44Å; N386-R389 VanDerWaalsContact O-CB 3.22Å; N386-R389 WeakPolarHBondContact O-CB 3.31Å; N386-R389 VanDerWaalsContact O-CG 3.32Å; N386-R389 WeakPolarHBondContact O-CG 3.4Å; N386-R389 PolarHBondContact O-N 3.39Å; N386-R389 VanDerWaalsContact O-N 3.09Å
387	E	80.1	Confident	82.3	Confident	80 Å²	80	68.1 Å²	68.1	37%	0.374	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64	-32.2	-176.4	-71	-62.4	111.7	0	0	112.8	L381 S385 R389 K390	L381-E387 HydrophobicContact CD2-CB 3.86Å; S385-E387 PolarHBondContact OG-N 3.02Å; E387-R389 PolarHBondContact O-N 3.19Å; E387-K390 VanDerWaalsContact O-CB 3.28Å; E387-K390 WeakPolarHBondContact O-CB 3.48Å; E387-K390 PolarHBondContact O-N 2.84Å; E387-K390 WeakPolarHBondContact OE1-CE 3.2Å; E387-K390 IonicContact OE1-NZ 2.69Å; E387-K390 PolarHBondContact OE1-NZ 2.92Å; E387-K390 WeakPolarHBondContact OE2-CE 3.45Å; E387-K390 IonicContact OE2-NZ 3.54Å; E387-K390 PolarHBondContact OE2-NZ 2.91Å
388	I	80.2	Confident	82.5	Confident	9 Å²	9	66 Å²	66	5%	0.046	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.8	-15.5	175.6	-153	69.1	0	0	0	113.5	A345 I367 L381 S385 N386 K390 C391 F393	A345-I388 HydrophobicContact CB-CB 4.23Å; A345-I388 HydrophobicContact CB-CG1 3.53Å; A345-I388 HydrophobicContact CB-CG2 3.65Å; I367-I388 HydrophobicContact CB-CD1 4.41Å; I367-I388 HydrophobicContact CD1-CD1 4.01Å; L381-I388 HydrophobicContact CB-CD1 3.67Å; L381-I388 HydrophobicContact CD1-CD1 4.01Å; S385-I388 VanDerWaalsContact O-CG2 3.27Å; S385-I388 WeakPolarHBondContact O-CG2 3.43Å; S385-I388 PolarHBondContact OG-N 2.76Å; N386-I388 VanDerWaalsContact C-N 3.28Å; N386-I388 PolarHBondContact O-N 3.44Å; I388-K390 PolarHBondContact O-N 3.01Å; I388-C391 WeakPolarHBondContact O-CB 3.49Å; I388-C391 PolarHBondContact O-N 2.93Å; I388-C391 VanDerWaalsContact O-N 3.12Å; I388-F393 HydrophobicContact CD1-CZ 3.94Å; I388-F393 HydrophobicContact CG1-CZ 3.9Å
389	R	77.9	Confident	82.5	Confident	173 Å²	173	67.8 Å²	67.8	65%	0.653	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.1	172.1	-62.4	177	166.9	-150.5	-9.8	113.3	N386 E387 C391	N386-R389 VanDerWaalsContact O-CB 3.22Å; N386-R389 WeakPolarHBondContact O-CB 3.31Å; N386-R389 VanDerWaalsContact O-CG 3.32Å; N386-R389 WeakPolarHBondContact O-CG 3.4Å; N386-R389 PolarHBondContact O-N 3.39Å; N386-R389 VanDerWaalsContact O-N 3.09Å; E387-R389 PolarHBondContact O-N 3.19Å; R389-C391 VanDerWaalsContact C-N 3.27Å
390	K	81.2	Confident	82.6	Confident	64 Å²	64	69.7 Å²	69.7	28%	0.278	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-82.5	-4.6	171	-60.9	173.9	-174.8	168.9	0	112.2	E387 I388 F483 S484	E387-K390 VanDerWaalsContact O-CB 3.28Å; E387-K390 WeakPolarHBondContact O-CB 3.48Å; E387-K390 PolarHBondContact O-N 2.84Å; E387-K390 WeakPolarHBondContact OE1-CE 3.2Å; E387-K390 IonicContact OE1-NZ 2.69Å; E387-K390 PolarHBondContact OE1-NZ 2.92Å; E387-K390 WeakPolarHBondContact OE2-CE 3.45Å; E387-K390 IonicContact OE2-NZ 3.54Å; E387-K390 PolarHBondContact OE2-NZ 2.91Å; I388-K390 PolarHBondContact O-N 3.01Å; K390-F483 HydrophobicContact CB-CD2 3.73Å; K390-F483 HydrophobicContact CB-CE2 3.6Å; K390-F483 HydrophobicContact CB-CZ 4.45Å; K390-F483 HydrophobicContact CD-CE2 3.68Å; K390-F483 HydrophobicContact CD-CZ 3.9Å; K390-F483 HydrophobicContact CG-CE2 4.27Å; K390-S484 WeakPolarHBondContact CB-O 3.26Å; K390-S484 PolarHBondContact O-N 3Å
391	C	82	Confident	82.4	Confident	13 Å²	13	63.5 Å²	63.5	9%	0.088	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-94.8	137.2	176.1	-66.2	0	0	0	0	112.7	L381 I388 R389 F393 S482	L381-C391 WeakPolarHBondContact CD1-SG 3.42Å; I388-C391 WeakPolarHBondContact O-CB 3.49Å; I388-C391 PolarHBondContact O-N 2.93Å; I388-C391 VanDerWaalsContact O-N 3.12Å; R389-C391 VanDerWaalsContact C-N 3.27Å; C391-F393 HydrophobicContact CB-CE1 4Å; C391-F393 HydrophobicContact CB-CE2 4.22Å; C391-F393 HydrophobicContact CB-CZ 3.79Å; C391-S482 CarbonylContact C-O 3.53Å; C391-S482 WeakPolarHBondContact CA-O 3.28Å
392	T	82.2	Confident	82.4	Confident	90 Å²	90	70.8 Å²	70.8	55%	0.552	36%	0.356	S	S	*	.			trans	-116	100.3	166.2	62.3	0	0	0	0	109.4	F372 S482	F372-T392 VanDerWaalsContact CZ-OG1 3.32Å; F372-T392 WeakPolarHBondContact CZ-OG1 3.39Å; T392-S482 PolarHBondContact N-O 3.22Å
393	F	82.2	Confident	82.5	Confident	44 Å²	44	70.7 Å²	70.7	19%	0.193	36%	0.359	C	S	.	.			trans	-73.7	137.1	-179	-52.6	-73.2	0	0	0	111.9	A345 I367 I388 C391 D397 L398 L401 I479	A345-F393 HydrophobicContact CB-CE2 4.13Å; A345-F393 HydrophobicContact CB-CZ 4.43Å; I367-F393 HydrophobicContact CD1-CE1 4.47Å; I367-F393 HydrophobicContact CD1-CZ 4.4Å; I367-F393 HydrophobicContact CG2-CE1 4.48Å; I388-F393 HydrophobicContact CD1-CZ 3.94Å; I388-F393 HydrophobicContact CG1-CZ 3.9Å; C391-F393 HydrophobicContact CB-CE1 4Å; C391-F393 HydrophobicContact CB-CE2 4.22Å; C391-F393 HydrophobicContact CB-CZ 3.79Å; F393-D397 HydrophobicContact CB-CB 4.24Å; F393-D397 HydrophobicContact CD1-CB 4.41Å; F393-L398 HydrophobicContact CB-CD1 4.5Å; F393-L398 HydrophobicContact CB-CD2 3.94Å; F393-L398 HydrophobicContact CB-CG 3.83Å; F393-L398 HydrophobicContact CD2-CD2 4.27Å; F393-L398 HydrophobicContact CG-CD2 4.21Å; F393-L401 HydrophobicContact CD1-CD1 4.02Å; F393-L401 HydrophobicContact CE1-CD1 4.09Å; F393-I479 HydrophobicContact CD1-CD1 3.68Å; F393-I479 HydrophobicContact CE1-CD1 3.63Å
394	S	81.6	Confident	82.4	Confident	51 Å²	51	71.8 Å²	71.8	36%	0.357	37%	0.368	S	S	.	.			trans	-75.6	168.1	165.7	74.4	0	0	0	0	111.4	K396 D397 L398	S394-K396 PolarHBondContact O-N 2.79Å; S394-K396 PolarHBondContact OG-N 3.32Å; S394-D397 VanDerWaalsContact CB-OD2 3.23Å; S394-D397 WeakPolarHBondContact CB-OD2 3.49Å; S394-D397 PolarHBondContact N-OD2 3.13Å; S394-D397 PolarHBondContact O-N 3.24Å; S394-D397 VanDerWaalsContact OG-CG 3.27Å; S394-D397 PolarHBondContact OG-N 3.03Å; S394-D397 VanDerWaalsContact OG-N 3.16Å; S394-D397 PolarHBondContact OG-OD2 3.03Å; S394-L398 WeakPolarHBondContact O-CG 3.23Å; S394-L398 PolarHBondContact O-N 3.46Å
395	T	83.2	Confident	82.6	Confident	127 Å²	127	71.4 Å²	71.4	78%	0.779	36%	0.36	S	S	*	.	H	α-helix	trans	-56.7	-34.3	170.4	47	0	0	0	0	112.3	Q399	T395-Q399 PolarHBondContact O-N 2.86Å; T395-Q399 VanDerWaalsContact O-N 3.13Å
396	K	85.1	Confident	82.6	Confident	155 Å²	155	74 Å²	74	67%	0.674	38%	0.375	S	S	*	.	H	α-helix	trans	-68.8	-44.9	176.5	-172.2	179.6	179.4	-178	0	111.9	S394 L398 Q399 T400	S394-K396 PolarHBondContact O-N 2.79Å; S394-K396 PolarHBondContact OG-N 3.32Å; K396-L398 PolarHBondContact O-N 3.16Å; K396-Q399 WeakPolarHBondContact O-CB 3.5Å; K396-Q399 PolarHBondContact O-N 2.87Å; K396-Q399 VanDerWaalsContact O-N 3.14Å; K396-T400 PolarHBondContact O-N 2.96Å; K396-T400 PolarHBondContact O-OG1 2.89Å
397	D	85.5	Confident	82.7	Confident	18 Å²	18	74 Å²	74	10%	0.096	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-42.8	178.5	-54.8	-61.2	0	0	0	111.1	F393 S394 Q399 T400 L401 I479 G480	F393-D397 HydrophobicContact CB-CB 4.24Å; F393-D397 HydrophobicContact CD1-CB 4.41Å; S394-D397 VanDerWaalsContact CB-OD2 3.23Å; S394-D397 WeakPolarHBondContact CB-OD2 3.49Å; S394-D397 PolarHBondContact N-OD2 3.13Å; S394-D397 PolarHBondContact O-N 3.24Å; S394-D397 VanDerWaalsContact OG-CG 3.27Å; S394-D397 PolarHBondContact OG-N 3.03Å; S394-D397 VanDerWaalsContact OG-N 3.16Å; S394-D397 PolarHBondContact OG-OD2 3.03Å; D397-Q399 PolarHBondContact O-N 3.31Å; D397-T400 PolarHBondContact O-N 3.1Å; D397-L401 WeakPolarHBondContact O-CB 3.32Å; D397-L401 WeakPolarHBondContact O-CD1 3.39Å; D397-L401 VanDerWaalsContact O-CG 3.23Å; D397-L401 WeakPolarHBondContact O-CG 3.36Å; D397-L401 PolarHBondContact O-N 2.74Å; D397-I479 HydrophobicContact CB-CB 4.23Å; D397-I479 HydrophobicContact CB-CD1 4.42Å; D397-I479 HydrophobicContact CB-CG2 4.19Å; D397-G480 PolarHBondContact OD1-N 3.46Å; D397-G480 VanDerWaalsContact OD1-N 3.15Å
398	L	83.5	Confident	82.6	Confident	69 Å²	69	71.5 Å²	71.5	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-32.7	174.4	-70.2	173.3	0	0	0	112.6	F393 S394 K396 R402	F393-L398 HydrophobicContact CB-CD1 4.5Å; F393-L398 HydrophobicContact CB-CD2 3.94Å; F393-L398 HydrophobicContact CB-CG 3.83Å; F393-L398 HydrophobicContact CD2-CD2 4.27Å; F393-L398 HydrophobicContact CG-CD2 4.21Å; S394-L398 WeakPolarHBondContact O-CG 3.23Å; S394-L398 PolarHBondContact O-N 3.46Å; K396-L398 PolarHBondContact O-N 3.16Å; L398-R402 VanDerWaalsContact O-CB 3.26Å; L398-R402 WeakPolarHBondContact O-CB 3.49Å; L398-R402 PolarHBondContact O-N 3.06Å
399	Q	84.2	Confident	82.3	Confident	134 Å²	134	75.5 Å²	75.5	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-71.8	-46.9	174.3	-171.7	170.5	-5.7	0	0	111.5	T395 K396 D397 L401 R402 T403	T395-Q399 PolarHBondContact O-N 2.86Å; T395-Q399 VanDerWaalsContact O-N 3.13Å; K396-Q399 WeakPolarHBondContact O-CB 3.5Å; K396-Q399 PolarHBondContact O-N 2.87Å; K396-Q399 VanDerWaalsContact O-N 3.14Å; D397-Q399 PolarHBondContact O-N 3.31Å; Q399-L401 PolarHBondContact O-N 3.47Å; Q399-R402 WeakPolarHBondContact O-CB 3.26Å; Q399-R402 PolarHBondContact O-N 3.08Å; Q399-R402 VanDerWaalsContact O-N 3.12Å; Q399-T403 PolarHBondContact O-N 3.1Å; Q399-T403 PolarHBondContact O-OG1 3.37Å
400	T	86.4	Confident	82	Confident	60 Å²	60	70.7 Å²	70.7	37%	0.368	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-49	175.4	-64.3	0	0	0	0	112	K396 D397 R402 T403 A404 V477	K396-T400 PolarHBondContact O-N 2.96Å; K396-T400 PolarHBondContact O-OG1 2.89Å; D397-T400 PolarHBondContact O-N 3.1Å; T400-R402 PolarHBondContact O-N 3.03Å; T400-T403 PolarHBondContact O-N 3.38Å; T400-A404 PolarHBondContact O-N 2.8Å; T400-A404 VanDerWaalsContact O-N 3.16Å; T400-V477 HydrophobicContact CG2-CG1 4.21Å
401	L	83.7	Confident	81.6	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-33.7	177.9	-67.3	163	0	0	0	111.8	T346 F348 I367 F393 D397 Q399 F405 V477 I479	T346-L401 HydrophobicContact CG2-CB 4.39Å; T346-L401 HydrophobicContact CG2-CD1 3.91Å; F348-L401 WeakPolarHBondContact CE2-O 3.46Å; F348-L401 VanDerWaalsContact CZ-C 3.42Å; F348-L401 HydrophobicContact CZ-CB 3.79Å; F348-L401 WeakPolarHBondContact CZ-O 3.41Å; I367-L401 HydrophobicContact CD1-CD1 4.32Å; I367-L401 HydrophobicContact CD1-CD2 3.89Å; I367-L401 HydrophobicContact CG1-CD2 3.82Å; I367-L401 HydrophobicContact CG2-CD2 4.25Å; F393-L401 HydrophobicContact CD1-CD1 4.02Å; F393-L401 HydrophobicContact CE1-CD1 4.09Å; D397-L401 WeakPolarHBondContact O-CB 3.32Å; D397-L401 WeakPolarHBondContact O-CD1 3.39Å; D397-L401 VanDerWaalsContact O-CG 3.23Å; D397-L401 WeakPolarHBondContact O-CG 3.36Å; D397-L401 PolarHBondContact O-N 2.74Å; Q399-L401 PolarHBondContact O-N 3.47Å; L401-F405 PolarHBondContact O-N 3.37Å; L401-V477 HydrophobicContact CD2-CB 3.89Å; L401-V477 HydrophobicContact CD2-CG1 3.86Å; L401-V477 HydrophobicContact CD2-CG2 4.46Å; L401-I479 HydrophobicContact CD1-CG2 4.19Å; L401-I479 HydrophobicContact CD2-CG2 3.93Å; L401-I479 HydrophobicContact CG-CG2 3.82Å
402	R	83.9	Confident	80.6	Confident	165 Å²	165	76.5 Å²	76.5	62%	0.623	40%	0.396	S	S	*	.	H	α-helix	trans	-73.4	-40.2	178.9	-170.1	-179.1	-165	146.8	1.9	112.3	F348 L398 Q399 T400 F405 V406	F348-R402 HydrophobicContact CD1-CB 4.45Å; F348-R402 HydrophobicContact CD1-CG 4.42Å; F348-R402 HydrophobicContact CE1-CB 3.85Å; F348-R402 HydrophobicContact CE1-CG 4.31Å; F348-R402 VanDerWaalsContact CZ-CA 3.49Å; F348-R402 HydrophobicContact CZ-CB 3.93Å; L398-R402 VanDerWaalsContact O-CB 3.26Å; L398-R402 WeakPolarHBondContact O-CB 3.49Å; L398-R402 PolarHBondContact O-N 3.06Å; Q399-R402 WeakPolarHBondContact O-CB 3.26Å; Q399-R402 PolarHBondContact O-N 3.08Å; Q399-R402 VanDerWaalsContact O-N 3.12Å; T400-R402 PolarHBondContact O-N 3.03Å; R402-F405 PolarHBondContact O-N 3.49Å; R402-V406 PolarHBondContact O-N 2.88Å
403	T	85.3	Confident	79.3	Confident	72 Å²	72	77.9 Å²	77.9	44%	0.442	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-49	176	-54.6	0	0	0	0	110.7	Q399 T400 F405 V406 E407	Q399-T403 PolarHBondContact O-N 3.1Å; Q399-T403 PolarHBondContact O-OG1 3.37Å; T400-T403 PolarHBondContact O-N 3.38Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 3.28Å; T403-V406 WeakPolarHBondContact O-CB 3.33Å; T403-V406 PolarHBondContact O-N 3.1Å; T403-E407 PolarHBondContact O-N 2.77Å
404	A	83.5	Confident	78	Confident	23 Å²	23	78.8 Å²	78.8	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-56.9	-37.5	177.4	0	0	0	0	0	112.8	W365 T400 E407 F408 V477	W365-A404 HydrophobicContact CZ3-CB 4.11Å; T400-A404 PolarHBondContact O-N 2.8Å; T400-A404 VanDerWaalsContact O-N 3.16Å; A404-E407 PolarHBondContact O-N 3.39Å; A404-F408 WeakPolarHBondContact O-CB 3.41Å; A404-F408 PolarHBondContact O-N 3.46Å; A404-V477 HydrophobicContact CB-CB 4.5Å; A404-V477 HydrophobicContact CB-CG1 4.01Å; A404-V477 HydrophobicContact CB-CG2 3.6Å
405	F	81.4	Confident	76.4	Confident	13 Å²	13	83.9 Å²	83.9	6%	0.057	44%	0.44	C	S	.	.	H	α-helix	trans	-68.1	-31.4	175.6	-179.1	-126.7	0	0	0	113.9	F348 H349 T350 W365 L401 R402 T403 Q409	F348-F405 HydrophobicContact CB-CD1 4.48Å; F348-F405 HydrophobicContact CD2-CB 4.05Å; F348-F405 AromaticContact CD2-CD1 3.51Å; F348-F405 HydrophobicContact CD2-CD1 3.51Å; F348-F405 HydrophobicContact CD2-CE1 4.14Å; F348-F405 AromaticContact CD2-CG 3.95Å; F348-F405 HydrophobicContact CD2-CG 3.95Å; F348-F405 HydrophobicContact CE2-CB 3.81Å; F348-F405 HydrophobicContact CE2-CD1 4.18Å; F348-F405 HydrophobicContact CE2-CG 4.2Å; F348-F405 HydrophobicContact CG-CD1 4.38Å; F348-F405 WeakPolarHBondContact O-CE1 3.15Å; H349-F405 AromaticContact CD2-CD2 3.48Å; H349-F405 VanDerWaalsContact CD2-CD2 3.48Å; H349-F405 WeakPolarHBondContact CD2-CD2 3.41Å; H349-F405 AromaticContact CD2-CE2 3.8Å; H349-F405 AromaticContact CD2-CG 3.62Å; T350-F405 HydrophobicContact CG2-CZ 4.48Å; W365-F405 VanDerWaalsContact CH2-CA 3.49Å; W365-F405 HydrophobicContact CH2-CB 4.05Å; W365-F405 HydrophobicContact CH2-CD2 4.18Å; W365-F405 HydrophobicContact CZ2-CB 4.45Å; W365-F405 AromaticContact CZ2-CD2 3.72Å; W365-F405 HydrophobicContact CZ2-CD2 3.72Å; W365-F405 HydrophobicContact CZ3-CB 4.33Å; L401-F405 PolarHBondContact O-N 3.37Å; R402-F405 PolarHBondContact O-N 3.49Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 3.28Å; F405-Q409 HydrophobicContact CE2-CG 4.23Å; F405-Q409 HydrophobicContact CZ-CG 4.35Å; F405-Q409 WeakPolarHBondContact O-CG 3.43Å; F405-Q409 PolarHBondContact O-N 3.21Å; F405-Q409 VanDerWaalsContact O-N 3.09Å
406	V	81.5	Confident	74.8	Confident	93 Å²	93	82.9 Å²	82.9	56%	0.564	43%	0.429	S	S	*	.	H	α-helix	trans	-71.1	-42.1	173.4	175.3	0	0	0	0	110.7	R402 T403 F408 Q409 S410	R402-V406 PolarHBondContact O-N 2.88Å; T403-V406 WeakPolarHBondContact O-CB 3.33Å; T403-V406 PolarHBondContact O-N 3.1Å; V406-F408 VanDerWaalsContact C-N 3.32Å; V406-F408 PolarHBondContact O-N 3.04Å; V406-Q409 PolarHBondContact O-N 3.16Å; V406-S410 PolarHBondContact O-N 3.34Å
407	E	82	Confident	73.3	Confident	100 Å²	100	79.4 Å²	79.4	47%	0.467	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-33.9	175.4	-67.8	175.1	-156	0	0	113.2	T403 A404 S410 K411	T403-E407 PolarHBondContact O-N 2.77Å; A404-E407 PolarHBondContact O-N 3.39Å; E407-S410 PolarHBondContact O-OG 3.4Å; E407-K411 WeakPolarHBondContact O-CD 3.43Å; E407-K411 VanDerWaalsContact O-CG 3.28Å; E407-K411 WeakPolarHBondContact O-CG 3.43Å; E407-K411 PolarHBondContact O-N 3.41Å
408	F	79	Confident	71.5	Confident	27 Å²	27	81.5 Å²	81.5	12%	0.118	43%	0.429	C	S	.	.	H	α-helix	trans	-70.7	-38.1	172.4	-177.7	-93.4	0	0	0	111.8	L352 W365 A404 V406 K411 M412 L474 L475	L352-F408 HydrophobicContact CD1-CE1 4.11Å; L352-F408 HydrophobicContact CD1-CZ 4.4Å; W365-F408 HydrophobicContact CH2-CB 3.69Å; W365-F408 HydrophobicContact CH2-CG 4.08Å; W365-F408 HydrophobicContact CZ2-CB 3.63Å; W365-F408 AromaticContact CZ2-CD1 3.72Å; W365-F408 HydrophobicContact CZ2-CD1 3.72Å; W365-F408 HydrophobicContact CZ2-CD2 4.05Å; W365-F408 HydrophobicContact CZ2-CE1 4.32Å; W365-F408 AromaticContact CZ2-CG 3.55Å; W365-F408 HydrophobicContact CZ2-CG 3.55Å; A404-F408 WeakPolarHBondContact O-CB 3.41Å; A404-F408 PolarHBondContact O-N 3.46Å; V406-F408 VanDerWaalsContact C-N 3.32Å; V406-F408 PolarHBondContact O-N 3.04Å; F408-K411 PolarHBondContact O-N 2.93Å; F408-M412 HydrophobicContact CD1-CG 4.37Å; F408-M412 HydrophobicContact CD1-SD 4.09Å; F408-M412 HydrophobicContact CE1-CE 3.47Å; F408-M412 VanDerWaalsContact CE1-CE 3.47Å; F408-M412 HydrophobicContact CE1-CG 4.12Å; F408-M412 HydrophobicContact CE1-SD 3.51Å; F408-M412 VanDerWaalsContact CE1-SD 3.51Å; F408-M412 HydrophobicContact CZ-CE 3.59Å; F408-M412 HydrophobicContact CZ-SD 4.22Å; F408-M412 PolarHBondContact O-N 2.89Å; F408-M412 VanDerWaalsContact O-N 3.09Å; F408-L474 VanDerWaalsContact CD2-O 3.23Å; F408-L474 WeakPolarHBondContact CD2-O 3.17Å; F408-L474 HydrophobicContact CE2-CB 4.27Å; F408-L474 WeakPolarHBondContact CE2-O 3.41Å; F408-L475 HydrophobicContact CD2-CD2 4.47Å; F408-L475 HydrophobicContact CE2-CD2 3.71Å; F408-L475 HydrophobicContact CE2-CG 4.49Å; F408-L475 HydrophobicContact CZ-CD2 3.77Å
409	Q	72.2	Confident	69.7	Low	94 Å²	94	82 Å²	82	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-36.9	176.6	-81.9	-168.9	55.8	0	0	113.4	F405 V406 M412	F405-Q409 HydrophobicContact CE2-CG 4.23Å; F405-Q409 HydrophobicContact CZ-CG 4.35Å; F405-Q409 WeakPolarHBondContact O-CG 3.43Å; F405-Q409 PolarHBondContact O-N 3.21Å; F405-Q409 VanDerWaalsContact O-N 3.09Å; V406-Q409 PolarHBondContact O-N 3.16Å; Q409-M412 PolarHBondContact O-N 3.12Å
410	S	73.7	Confident	68.2	Low	71 Å²	71	79.9 Å²	79.9	50%	0.497	42%	0.424	S	S	.	.	H	α-helix	trans	-66.7	-43.9	175.3	58.6	0	0	0	0	111.3	V406 E407 M412 T413	V406-S410 PolarHBondContact O-N 3.34Å; E407-S410 PolarHBondContact O-OG 3.4Å; S410-M412 PolarHBondContact O-N 3.12Å; S410-T413 PolarHBondContact O-N 3.42Å; S410-T413 PolarHBondContact O-OG1 2.87Å
411	K	71.2	Confident	66.3	Low	128 Å²	128	80.8 Å²	80.8	56%	0.557	43%	0.426	S	S	*	.	H	α-helix	trans	-59.7	-26.8	173.7	-68.9	167.8	-173	169.3	0	113.4	E407 F408 T413	E407-K411 WeakPolarHBondContact O-CD 3.43Å; E407-K411 VanDerWaalsContact O-CG 3.28Å; E407-K411 WeakPolarHBondContact O-CG 3.43Å; E407-K411 PolarHBondContact O-N 3.41Å; F408-K411 PolarHBondContact O-N 2.93Å; K411-T413 PolarHBondContact O-N 2.06Å
412	M	61.1	Low	64.7	Low	71 Å²	71	86.8 Å²	86.8	35%	0.35	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	7	172.3	-81	-165.2	150.9	0	0	115.2	L352 F408 Q409 S410	L352-M412 HydrophobicContact CD1-CE 4.16Å; L352-M412 HydrophobicContact CD2-CE 4.09Å; L352-M412 HydrophobicContact CD2-SD 3.98Å; F408-M412 HydrophobicContact CD1-CG 4.37Å; F408-M412 HydrophobicContact CD1-SD 4.09Å; F408-M412 HydrophobicContact CE1-CE 3.47Å; F408-M412 VanDerWaalsContact CE1-CE 3.47Å; F408-M412 HydrophobicContact CE1-CG 4.12Å; F408-M412 HydrophobicContact CE1-SD 3.51Å; F408-M412 VanDerWaalsContact CE1-SD 3.51Å; F408-M412 HydrophobicContact CZ-CE 3.59Å; F408-M412 HydrophobicContact CZ-SD 4.22Å; F408-M412 PolarHBondContact O-N 2.89Å; F408-M412 VanDerWaalsContact O-N 3.09Å; Q409-M412 PolarHBondContact O-N 3.12Å; S410-M412 PolarHBondContact O-N 3.12Å
413	T	56.2	Low	62.8	Low	119 Å²	119	84.5 Å²	84.5	73%	0.73	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.2	-179.2	62	0	0	0	0	115.5	S410 K411	S410-T413 PolarHBondContact O-N 3.42Å; S410-T413 PolarHBondContact O-OG1 2.87Å; K411-T413 PolarHBondContact O-N 2.06Å
414	S	53.1	Low	60.7	Low	64 Å²	64	88.5 Å²	88.5	45%	0.448	47%	0.465	S	S	.	.	S	Bend	trans	-83.1	165.5	163.5	61.5	0	0	0	0	111.5	D416	S414-D416 VanDerWaalsContact CB-OD2 3.24Å; S414-D416 WeakPolarHBondContact CB-OD2 3.42Å; S414-D416 PolarHBondContact O-N 2.91Å; S414-D416 PolarHBondContact OG-OD2 3.49Å
415	N	49.6	Very low	58.5	Low	158 Å²	158	95.5 Å²	95.5	85%	0.845	49%	0.494	S	S	*	.	S	Bend	trans	-76.1	-0.9	-166.9	-77	-27.2	0	0	0	115.2	Y417	N415-Y417 PolarHBondContact O-N 3.08Å
416	D	48.6	Very low	56.1	Low	105 Å²	105	100.8 Å²	100.8	56%	0.561	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	9.1	-168.8	-37.3	-71.9	0	0	0	113.9	S414 S418	S414-D416 VanDerWaalsContact CB-OD2 3.24Å; S414-D416 WeakPolarHBondContact CB-OD2 3.42Å; S414-D416 PolarHBondContact O-N 2.91Å; S414-D416 PolarHBondContact OG-OD2 3.49Å; D416-S418 PolarHBondContact O-N 3.3Å
417	Y	53.2	Low	53.6	Low	82 Å²	82	100.7 Å²	100.7	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-15.8	-173.3	-171.8	-110.7	0	0	0	114.2	I335 N415 D419 L421	I335-Y417 HydrophobicContact CD1-CE1 4.4Å; I335-Y417 WeakPolarHBondContact CD1-OH 3.13Å; N415-Y417 PolarHBondContact O-N 3.08Å; Y417-D419 VanDerWaalsContact C-N 3.34Å; Y417-D419 PolarHBondContact O-N 3.47Å; Y417-L421 HydrophobicContact CD1-CD1 4.01Å; Y417-L421 HydrophobicContact CE1-CD1 3.39Å; Y417-L421 HydrophobicContact CE1-CG 4.37Å
418	S	47.9	Very low	51.1	Low	63 Å²	63	104 Å²	104	44%	0.441	54%	0.544	S	S	.	.	H	α-helix	trans	-63.3	-34.3	-179.8	40.1	0	0	0	0	114.2	D416 K422	D416-S418 PolarHBondContact O-N 3.3Å; S418-K422 WeakPolarHBondContact O-CG 3.24Å
419	D	47	Very low	48.6	Very low	78 Å²	78	107.2 Å²	107.2	42%	0.417	57%	0.567	S	S	.	*	H	α-helix	trans	-100.9	-28.7	-164.9	-59	-64.8	0	0	0	112.4	Y417 L421 K422 L423	Y417-D419 VanDerWaalsContact C-N 3.34Å; Y417-D419 PolarHBondContact O-N 3.47Å; D419-L421 PolarHBondContact O-N 2.98Å; D419-K422 PolarHBondContact O-N 2.83Å; D419-K422 WeakPolarHBondContact OD1-CE 3.49Å; D419-K422 IonicContact OD1-NZ 2.97Å; D419-K422 PolarHBondContact OD1-NZ 3.32Å; D419-L423 PolarHBondContact O-N 3.31Å
420	I	52.5	Low	46.5	Very low	91 Å²	91	109.3 Å²	109.3	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-58.4	-34.9	168.5	-59.6	175.2	0	0	0	111
421	L	46.3	Very low	44.7	Very low	79 Å²	79	113.2 Å²	113.2	41%	0.414	60%	0.596	S	S	.	*	H	α-helix	trans	-76.5	-33	177.8	-88	170.4	0	0	0	114.1	Y417 D419 Q424	Y417-L421 HydrophobicContact CD1-CD1 4.01Å; Y417-L421 HydrophobicContact CE1-CD1 3.39Å; Y417-L421 HydrophobicContact CE1-CG 4.37Å; D419-L421 PolarHBondContact O-N 2.98Å; L421-Q424 PolarHBondContact O-N 2.86Å
422	K	48.8	Very low	42.8	Very low	126 Å²	126	115 Å²	115	55%	0.548	61%	0.611	S	S	.	*	H	α-helix	trans	-66.1	-41.3	177.2	-67.9	168.9	-166.8	165.1	0	111.2	S418 D419 Q424 Q425	S418-K422 WeakPolarHBondContact O-CG 3.24Å; D419-K422 PolarHBondContact O-N 2.83Å; D419-K422 WeakPolarHBondContact OD1-CE 3.49Å; D419-K422 IonicContact OD1-NZ 2.97Å; D419-K422 PolarHBondContact OD1-NZ 3.32Å; K422-Q424 PolarHBondContact O-N 3.23Å; K422-Q425 PolarHBondContact O-N 2.79Å; K422-Q425 VanDerWaalsContact O-N 3.09Å
423	L	44.6	Very low	41.2	Very low	118 Å²	118	117.1 Å²	117.1	62%	0.618	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-69.3	-12.8	-179.1	-67.1	172	0	0	0	114	D419 Q425 I426	D419-L423 PolarHBondContact O-N 3.31Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; L423-I426 HydrophobicContact CD2-CD1 4.08Å
424	Q	42.2	Very low	39.9	Very low	155 Å²	155	119.5 Å²	119.5	72%	0.724	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-86.5	3.9	171.6	-68.8	-166	-35.4	0	0	114	L421 K422	L421-Q424 PolarHBondContact O-N 2.86Å; K422-Q424 PolarHBondContact O-N 3.23Å
425	Q	36	Very low	38.7	Very low	170 Å²	170	121.7 Å²	121.7	79%	0.794	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-109.9	1.3	177.4	-62.7	-171.5	-10.8	0	0	113.9	K422 L423 S427	K422-Q425 PolarHBondContact O-N 2.79Å; K422-Q425 VanDerWaalsContact O-N 3.09Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; Q425-S427 PolarHBondContact O-N 2.68Å
426	I	32.4	Very low	37.6	Very low	124 Å²	124	119.8 Å²	119.8	64%	0.636	65%	0.648	S	S	*	*			trans	-80.9	119.2	172.9	-58.9	178.1	0	0	0	108.7	L423	L423-I426 HydrophobicContact CD2-CD1 4.08Å
427	S	27.3	Very low	36.7	Very low	92 Å²	92	119.1 Å²	119.1	64%	0.643	65%	0.652	S	S	*	*			trans	-71	124.8	175.5	46.5	0	0	0	0	111.4	Q425	Q425-S427 PolarHBondContact O-N 2.68Å
428	I	30.7	Very low	35.8	Very low	168 Å²	168	122.2 Å²	122.2	86%	0.862	67%	0.674	S	S	*	*			trans	-96.6	88.1	150.9	-56.3	178.1	0	0	0	105.9
429	T	26.2	Very low	35.1	Very low	96 Å²	96	126.6 Å²	126.6	59%	0.589	69%	0.692	S	S	*	*			trans	-95.3	161.5	155.4	52.3	0	0	0	0	108.3
430	D	28.6	Very low	34.5	Very low	138 Å²	138	129.4 Å²	129.4	74%	0.738	71%	0.706	S	S	*	*			trans	75.5	168.5	168	-44.1	-54.6	0	0	0	116.3
431	D	34.7	Very low	33.3	Very low	152 Å²	152	131.3 Å²	131.3	81%	0.813	72%	0.718	S	S	*	*			trans	60.1	70.2	177.5	-60.3	-19.2	0	0	0	119.5
432	L	31	Very low	32.4	Very low	167 Å²	167	134.7 Å²	134.7	87%	0.874	74%	0.736	S	S	*	*				177	97.8	104.8	-96.8	158.6	0	0	0	112.2
433	S	29.2	Very low	31.5	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	74%	0.737	S	S	*	*			trans	-129.9	106.4	172.8	58.2	0	0	0	0	110.7
434	L	29	Very low	30.6	Very low	168 Å²	168	134.4 Å²	134.4	88%	0.88	75%	0.747	S	S	*	*			trans	-136.1	107.5	171.3	-85.6	174.2	0	0	0	112
435	C	26.3	Very low	29.9	Very low	110 Å²	110	131.3 Å²	131.3	74%	0.743	74%	0.742	S	S	*	*			trans	-103	165.4	135.8	56.3	0	0	0	0	106.4
436	V	28	Very low	29.6	Very low	119 Å²	119	127.4 Å²	127.4	72%	0.721	73%	0.733	S	S	*	*			cis	-138.1	-176.6	19.4	-173.6	0	0	0	0	108.3
437	S	29.8	Very low	29.5	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	74%	0.739	S	S	*	*			trans	75.7	142.8	157.2	5	0	0	0	0	117.2
438	D	32.6	Very low	29.5	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	74%	0.742	S	S	*	*			cis	-148.8	164.8	-0.7	-102.7	-36.4	0	0	0	113.3
439	D	33.8	Very low	29.4	Very low	154 Å²	154	127.5 Å²	127.5	82%	0.824	73%	0.731	S	S	*	*			trans	69.2	161.1	148.4	-100.1	-36.9	0	0	0	125.3
440	L	34.6	Very low	29.5	Very low	138 Å²	138	129.7 Å²	129.7	72%	0.723	74%	0.735	S	S	*	*			trans	-88.8	156.9	175.8	-88.1	162.1	0	0	0	112.9
441	N	28	Very low	29.8	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	74%	0.738	S	S	*	*			trans	71.6	124.8	157.3	-57.1	-36.5	0	0	0	119.2
442	N	26.8	Very low	29.6	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	73%	0.729	S	S	*	*			trans	69.5	150.9	141.8	-72.3	-6.1	0	0	0	117.7
443	S	29	Very low	29.5	Very low	80 Å²	80	126.3 Å²	126.3	56%	0.559	72%	0.718	S	S	*	*			cis	-165	147	-10.1	-116.4	0	0	0	0	110.1
444	L	26.5	Very low	29.6	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	72%	0.718	S	S	*	*			trans	61.9	163.6	166.6	-77	81.5	0	0	0	114.3
445	S	27	Very low	29.7	Very low	90 Å²	90	126.7 Å²	126.7	63%	0.629	71%	0.712	S	S	*	*			cis	-163.6	-159.9	-30.4	-95.9	0	0	0	0	106.8
446	S	29.4	Very low	29.9	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	71%	0.713	S	S	*	*			trans	26.1	128	132.1	57.3	0	0	0	0	118.6
447	Q	30.2	Very low	30	Very low	162 Å²	162	128.6 Å²	128.6	76%	0.757	72%	0.716	S	S	*	*			cis	-159.5	166.2	19.7	-110.4	145.6	-5.2	0	0	108.9
448	L	27.6	Very low	30.1	Very low	134 Å²	134	128.6 Å²	128.6	70%	0.702	72%	0.716	S	S	*	*				39.8	146.8	98.4	-41.9	179.7	0	0	0	114.7
449	S	28.8	Very low	30	Very low	90 Å²	90	128 Å²	128	63%	0.629	72%	0.717	S	S	*	*			cis	-147.7	148.5	23.3	-41.1	0	0	0	0	110.9
450	E	28.9	Very low	29.9	Very low	143 Å²	143	130 Å²	130	67%	0.668	72%	0.719	S	S	*	*				58.9	126.4	96.7	-53.2	165	176.2	0	0	116.1
451	H	34.3	Very low	29.6	Very low	173 Å²	173	131 Å²	131	80%	0.801	72%	0.724	S	S	*	*				-166.1	120.4	116.5	-103.5	-92.2	0	0	0	105.7
452	N	30.2	Very low	29.6	Very low	119 Å²	119	130.7 Å²	130.7	64%	0.636	73%	0.726	S	S	*	*				63.4	132.4	80.2	-64.1	-43.2	0	0	0	112.7
453	S	29.3	Very low	29.8	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	73%	0.729	S	S	*	*			cis	-172.5	148.6	-0.9	44.2	0	0	0	0	112
454	D	30.9	Very low	29.7	Very low	149 Å²	149	137.8 Å²	137.8	80%	0.797	74%	0.739	S	S	*	*			trans	61.1	160.4	148.7	-62.4	-30	0	0	0	124.2
455	N	31.1	Very low	29.9	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	73%	0.734	S	S	*	*			trans	82.7	98	155.8	-77.7	-18	0	0	0	122.9
456	T	30.5	Very low	30	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	74%	0.741	S	S	*	*				60.6	112.9	121.2	59.8	0	0	0	0	122.1
457	D	31.2	Very low	30.1	Very low	147 Å²	147	144 Å²	144	79%	0.786	75%	0.753	S	S	*	*				86.2	131	125.1	-155.4	13.1	0	0	0	121.1
458	S	32.4	Very low	30.1	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	75%	0.754	S	S	*	*			trans	70.6	155.7	150.1	-82.7	0	0	0	0	123.9
459	T	30.3	Very low	30.1	Very low	134 Å²	134	145.4 Å²	145.4	82%	0.822	76%	0.759	S	S	*	*			trans	69.6	108.5	163.7	34.4	0	0	0	0	120.9
460	K	30.5	Very low	30.2	Very low	197 Å²	197	144.5 Å²	144.5	86%	0.857	75%	0.75	S	S	*	*			trans	-17	140.9	148.3	-49.7	165.9	-177.2	172.1	0	116.3
461	I	29.1	Very low	30.8	Very low	160 Å²	160	142.1 Å²	142.1	82%	0.821	75%	0.749	S	S	*	*				-154	155.5	121.2	-102.6	151.6	0	0	0	108.6
462	V	28.4	Very low	31.4	Very low	123 Å²	123	137.1 Å²	137.1	75%	0.745	73%	0.734	S	S	*	*			trans	-111.4	129.9	176.3	171.9	0	0	0	0	107.9
463	E	30.5	Very low	32.3	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	73%	0.729	S	S	*	*			trans	-149.1	145.1	158.5	-126.9	155.7	-136.5	0	0	112.1
464	Y	27.3	Very low	33.7	Very low	194 Å²	194	136.1 Å²	136.1	76%	0.761	72%	0.72	S	S	*	*			trans	-90.6	158.2	178.8	-93.9	-124.6	0	0	0	109.8
465	N	30.6	Very low	35.6	Very low	138 Å²	138	130.9 Å²	130.9	74%	0.738	69%	0.692	S	S	*	*				178.4	131.1	108.5	-90.5	-49.8	0	0	0	114.8
466	N	28.4	Very low	37.9	Very low	144 Å²	144	126.6 Å²	126.6	77%	0.77	67%	0.669	S	S	*	*			trans	32.9	100.1	146.2	-61	-23.9	0	0	0	121.1
467	E	32.7	Very low	40.4	Very low	182 Å²	182	121.4 Å²	121.4	85%	0.85	64%	0.637	S	S	*	*			trans	-132.9	116.6	143.6	-72.1	-156.5	126.9	0	0	112.9
468	Q	30.3	Very low	42.9	Very low	167 Å²	167	120.6 Å²	120.6	78%	0.78	63%	0.627	S	S	*	*			trans	33.5	100.2	155.1	-51.9	-171.5	27.1	0	0	119.7	T470	Q468-T470 PolarHBondContact O-N 3.22Å
469	I	27.2	Very low	45.4	Very low	159 Å²	159	117.5 Å²	117.5	82%	0.815	60%	0.603	S	S	*	*			trans	-70.9	95.6	163.1	-57.5	175.9	0	0	0	109.4
470	T	31.2	Very low	47.8	Very low	71 Å²	71	112.5 Å²	112.5	44%	0.436	58%	0.578	S	S	.	*			trans	-70.6	146	174.4	56.9	0	0	0	0	112	Q468 S472 N473	Q468-T470 PolarHBondContact O-N 3.22Å; T470-S472 PolarHBondContact O-N 3.27Å; T470-N473 PolarHBondContact O-N 3.17Å
471	S	40.6	Very low	50.3	Low	93 Å²	93	107.1 Å²	107.1	65%	0.65	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-59.3	-20.4	-174.4	51	0	0	0	0	114.5	N473	S471-N473 VanDerWaalsContact C-N 3.26Å; S471-N473 PolarHBondContact O-N 2.86Å
472	S	46	Very low	52.8	Low	69 Å²	69	99.5 Å²	99.5	48%	0.483	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-52.6	-36.5	173.7	-51.5	0	0	0	0	114.2	T470 L474 L475	T470-S472 PolarHBondContact O-N 3.27Å; S472-L474 VanDerWaalsContact C-N 3.32Å; S472-L474 PolarHBondContact O-N 2.93Å; S472-L475 PolarHBondContact O-N 3.43Å
473	N	51	Low	55.5	Low	101 Å²	101	94.4 Å²	94.4	54%	0.54	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-73	-19.6	-169.5	-75.6	-29.7	0	0	0	114.3	T470 S471 L475	T470-N473 PolarHBondContact O-N 3.17Å; S471-N473 VanDerWaalsContact C-N 3.26Å; S471-N473 PolarHBondContact O-N 2.86Å; N473-L475 VanDerWaalsContact C-N 3.34Å
474	L	58.1	Low	58.1	Low	89 Å²	89	86.3 Å²	86.3	47%	0.466	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-82.7	-7.1	-179.1	-74.2	169.4	0	0	0	114.2	F408 S472	F408-L474 VanDerWaalsContact CD2-O 3.23Å; F408-L474 WeakPolarHBondContact CD2-O 3.17Å; F408-L474 HydrophobicContact CE2-CB 4.27Å; F408-L474 WeakPolarHBondContact CE2-O 3.41Å; S472-L474 VanDerWaalsContact C-N 3.32Å; S472-L474 PolarHBondContact O-N 2.93Å
475	L	69.8	Low	60.7	Low	39 Å²	39	78 Å²	78	20%	0.204	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-116.9	4.7	-176.7	-68	174.4	0	0	0	113.8	W365 I366 F408 S472 N473	W365-L475 HydrophobicContact CG-CD2 4.42Å; W365-L475 HydrophobicContact CZ2-CD2 4.45Å; I366-L475 PolarHBondContact N-O 3.3Å; F408-L475 HydrophobicContact CD2-CD2 4.47Å; F408-L475 HydrophobicContact CE2-CD2 3.71Å; F408-L475 HydrophobicContact CE2-CG 4.49Å; F408-L475 HydrophobicContact CZ-CD2 3.77Å; S472-L475 PolarHBondContact O-N 3.43Å; N473-L475 VanDerWaalsContact C-N 3.34Å
476	L	80.1	Confident	63	Low	52 Å²	52	76.1 Å²	76.1	27%	0.272	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.7	-173.5	-175.1	65.7	0	0	0	111.9	I366 E368	I366-L476 HydrophobicContact CB-CD1 3.99Å; I366-L476 HydrophobicContact CG2-CD1 3.61Å; I366-L476 WeakPolarHBondContact O-CA 3.49Å; E368-L476 HydrophobicContact CB-CD1 4.11Å
477	V	82.7	Confident	65.5	Low	13 Å²	13	75.3 Å²	75.3	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.9	174.1	-168.4	0	0	0	0	110.7	W365 I366 I367 E368 T400 L401 A404	W365-V477 HydrophobicContact CE3-CG2 3.87Å; W365-V477 HydrophobicContact CZ3-CG2 3.59Å; I366-V477 PolarHBondContact O-N 3.22Å; I367-V477 CarbonylContact C-O 3.59Å; I367-V477 WeakPolarHBondContact CA-O 3.44Å; E368-V477 PolarHBondContact N-O 3.09Å; T400-V477 HydrophobicContact CG2-CG1 4.21Å; L401-V477 HydrophobicContact CD2-CB 3.89Å; L401-V477 HydrophobicContact CD2-CG1 3.86Å; L401-V477 HydrophobicContact CD2-CG2 4.46Å; A404-V477 HydrophobicContact CB-CB 4.5Å; A404-V477 HydrophobicContact CB-CG1 4.01Å; A404-V477 HydrophobicContact CB-CG2 3.6Å
478	K	84.5	Confident	67.8	Low	131 Å²	131	69.5 Å²	69.5	57%	0.57	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.8	178	-47.1	-156.1	178.7	-152.7	0	111.4	E368	E368-K478 HydrophobicContact CB-CB 4.48Å; E368-K478 HydrophobicContact CB-CG 4.11Å; E368-K478 VanDerWaalsContact CD-CE 3.49Å; E368-K478 VanDerWaalsContact CD-NZ 3.28Å; E368-K478 WeakPolarHBondContact O-CA 3.25Å; E368-K478 WeakPolarHBondContact OE1-CD 3.23Å; E368-K478 WeakPolarHBondContact OE1-CE 3.39Å; E368-K478 IonicContact OE1-NZ 2.78Å; E368-K478 PolarHBondContact OE1-NZ 3.29Å; E368-K478 WeakPolarHBondContact OE2-CE 3.17Å; E368-K478 IonicContact OE2-NZ 3.06Å; E368-K478 PolarHBondContact OE2-NZ 3.19Å; E368-K478 VanDerWaalsContact OE2-NZ 3.15Å
479	I	84.8	Confident	70.3	Confident	25 Å²	25	61.8 Å²	61.8	13%	0.128	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	174.3	178.8	59.7	165.5	0	0	0	111.4	I367 E368 F393 D397 L401	I367-I479 HydrophobicContact CG2-CD1 3.52Å; I367-I479 HydrophobicContact CG2-CG1 3.78Å; E368-I479 WeakPolarHBondContact O-CG1 3.23Å; E368-I479 PolarHBondContact O-N 3.01Å; F393-I479 HydrophobicContact CD1-CD1 3.68Å; F393-I479 HydrophobicContact CE1-CD1 3.63Å; D397-I479 HydrophobicContact CB-CB 4.23Å; D397-I479 HydrophobicContact CB-CD1 4.42Å; D397-I479 HydrophobicContact CB-CG2 4.19Å; L401-I479 HydrophobicContact CD1-CG2 4.19Å; L401-I479 HydrophobicContact CD2-CG2 3.93Å; L401-I479 HydrophobicContact CG-CG2 3.82Å
480	G	80.1	Confident	72.9	Confident	30 Å²	30	58.1 Å²	58.1	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	179.4	177.6	0	0	0	0	0	113.8	T369 D397 S482	T369-G480 PolarHBondContact OG1-O 3.32Å; D397-G480 PolarHBondContact OD1-N 3.46Å; D397-G480 VanDerWaalsContact OD1-N 3.15Å; G480-S482 PolarHBondContact O-N 3.02Å; G480-S482 VanDerWaalsContact O-N 3.16Å
481	P	83	Confident	75.3	Confident	84 Å²	84	58.9 Å²	58.9	55%	0.545	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	116.7	172.4	26.8	-33.6	0	0	0	109.9	A370 F372	A370-P481 HydrophobicContact CB-CB 4.13Å; A370-P481 CarbonylContact O-C 3.52Å; A370-P481 VanDerWaalsContact O-CA 3.32Å; A370-P481 WeakPolarHBondContact O-CA 3.26Å; F372-P481 VanDerWaalsContact CE1-O 3.26Å; F372-P481 WeakPolarHBondContact CE1-O 3.48Å
482	S	82.9	Confident	77.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	-10.6	-174.4	73.2	0	0	0	0	114.3	T369 A370 F372 C391 T392 G480	T369-S482 PolarHBondContact OG1-N 3.33Å; T369-S482 VanDerWaalsContact OG1-N 3.16Å; T369-S482 PolarHBondContact OG1-OG 2.7Å; A370-S482 PolarHBondContact O-N 3.22Å; F372-S482 VanDerWaalsContact CE2-C 3.45Å; F372-S482 WeakPolarHBondContact CE2-O 3.48Å; F372-S482 WeakPolarHBondContact CZ-O 3.38Å; C391-S482 CarbonylContact C-O 3.53Å; C391-S482 WeakPolarHBondContact CA-O 3.28Å; T392-S482 PolarHBondContact N-O 3.22Å; G480-S482 PolarHBondContact O-N 3.02Å; G480-S482 VanDerWaalsContact O-N 3.16Å
483	F	84.8	Confident	79.2	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.066	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.9	-167	177.5	-101.5	0	0	0	113	T369 A370 C371 F372 V379 L381 K390 C485	T369-F483 HydrophobicContact CG2-CB 4.09Å; A370-F483 PolarHBondContact O-N 2.98Å; A370-F483 VanDerWaalsContact O-N 3.16Å; C371-F483 CarbonylContact C-O 3.54Å; C371-F483 VanDerWaalsContact CA-O 3.27Å; C371-F483 WeakPolarHBondContact CA-O 3.2Å; C371-F483 HydrophobicContact CB-CD1 4.34Å; F372-F483 WeakPolarHBondContact CD2-O 3.34Å; F372-F483 PolarHBondContact N-O 3.4Å; V379-F483 HydrophobicContact CG1-CD1 4.33Å; V379-F483 HydrophobicContact CG1-CD2 4.38Å; V379-F483 HydrophobicContact CG1-CE1 4.25Å; V379-F483 HydrophobicContact CG1-CE2 4.29Å; V379-F483 HydrophobicContact CG1-CG 4.39Å; V379-F483 HydrophobicContact CG1-CZ 4.23Å; V379-F483 HydrophobicContact CG2-CD1 4.12Å; V379-F483 HydrophobicContact CG2-CE1 4.43Å; L381-F483 HydrophobicContact CD1-CD2 3.73Å; L381-F483 HydrophobicContact CD1-CE2 4.11Å; L381-F483 HydrophobicContact CD2-CE2 4.37Å; K390-F483 HydrophobicContact CB-CD2 3.73Å; K390-F483 HydrophobicContact CB-CE2 3.6Å; K390-F483 HydrophobicContact CB-CZ 4.45Å; K390-F483 HydrophobicContact CD-CE2 3.68Å; K390-F483 HydrophobicContact CD-CZ 3.9Å; K390-F483 HydrophobicContact CG-CE2 4.27Å; F483-C485 HydrophobicContact CE1-CB 4.1Å
484	S	83.6	Confident	80.6	Confident	16 Å²	16	57.1 Å²	57.1	11%	0.112	30%	0.303	C	S	.	.			trans	-106.2	125.1	165.6	-180	0	0	0	0	111.7	K390 N486 C504	K390-S484 WeakPolarHBondContact CB-O 3.26Å; K390-S484 PolarHBondContact O-N 3Å; S484-N486 VanDerWaalsContact C-N 3.26Å; S484-N486 PolarHBondContact O-N 3.34Å; S484-N486 PolarHBondContact OG-N 2.8Å; S484-C504 WeakPolarHBondContact OG-CB 3.41Å; S484-C504 PolarHBondContact OG-O 2.96Å
485	C	82.2	Confident	81.7	Confident	21 Å²	21	54.2 Å²	54.2	14%	0.142	29%	0.289	C	S	.	.			trans	-78.7	-2.8	178.5	63.7	0	0	0	0	114.3	C371 C373 F483 R487	C371-C485 VanDerWaalsContact SG-SG 3.61Å; C373-C485 PolarHBondContact SG-SG 3.31Å; F483-C485 HydrophobicContact CE1-CB 4.1Å; C485-R487 HydrophobicContact CB-CG 4.43Å; C485-R487 PolarHBondContact O-N 3.13Å
486	N	79.6	Confident	82.3	Confident	97 Å²	97	60.2 Å²	60.2	52%	0.519	31%	0.314	S	S	.	.			trans	55.1	10.8	-172.4	-67.6	-12	0	0	0	116.2	S484 F503	S484-N486 VanDerWaalsContact C-N 3.26Å; S484-N486 PolarHBondContact O-N 3.34Å; S484-N486 PolarHBondContact OG-N 2.8Å; N486-F503 VanDerWaalsContact O-CD1 3.3Å; N486-F503 WeakPolarHBondContact O-CD1 3.31Å
487	R	80.6	Confident	82.4	Confident	128 Å²	128	62.3 Å²	62.3	48%	0.483	33%	0.326	S	S	.	.	S	Bend	trans	-74.5	164.5	168	-61	177.6	-178.6	141.6	5	110.3	Q375 D376 C485 F503 C504	Q375-R487 VanDerWaalsContact OE1-CD 3.28Å; D376-R487 IonicContact OD1-NH1 2.74Å; D376-R487 PolarHBondContact OD1-NH1 3.39Å; D376-R487 IonicContact OD2-NH1 3.55Å; C485-R487 HydrophobicContact CB-CG 4.43Å; C485-R487 PolarHBondContact O-N 3.13Å; R487-F503 CarbonylContact O-C 3.59Å; R487-F503 WeakPolarHBondContact O-CA 3.5Å; R487-C504 PolarHBondContact O-N 3.22Å
488	V	81.1	Confident	82.4	Confident	59 Å²	59	64.2 Å²	64.2	36%	0.358	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-59.5	144.9	166.7	179.9	0	0	0	0	108.8	C500	V488-C500 WeakPolarHBondContact CG1-O 3.3Å
489	C	82.1	Confident	82.5	Confident	6 Å²	6	63.8 Å²	63.8	4%	0.041	33%	0.332	C	S	.	.			trans	-76.7	-31.3	-169.2	-171.2	0	0	0	0	113.1	R491 C500 N502	C489-R491 PolarHBondContact O-N 3.07Å; C489-R491 PolarHBondContact SG-NE 3.16Å; C489-R491 PolarHBondContact SG-NH2 3.43Å; C489-C500 HydrophobicContact CB-CB 3.98Å; C489-N502 WeakPolarHBondContact CB-O 3.45Å; C489-N502 PolarHBondContact N-O 3.03Å
490	D	81.9	Confident	82.5	Confident	82 Å²	82	62.8 Å²	62.8	44%	0.439	33%	0.326	S	S	.	.			trans	54.7	-6.8	171.7	-77.5	-47.4	0	0	0	118.4	Q492 C500	D490-Q492 PolarHBondContact O-N 3.22Å; D490-C500 PolarHBondContact N-O 2.9Å; D490-C500 VanDerWaalsContact N-O 3.1Å
491	R	82.1	Confident	82.6	Confident	86 Å²	86	66 Å²	66	33%	0.325	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-53.4	134.9	167.7	-72.8	-174.8	-74.1	177.6	-2.6	109.8	C489 L493 C500 H505 G507 C509	C489-R491 PolarHBondContact O-N 3.07Å; C489-R491 PolarHBondContact SG-NE 3.16Å; C489-R491 PolarHBondContact SG-NH2 3.43Å; R491-L493 PolarHBondContact O-N 3.13Å; R491-C500 WeakPolarHBondContact O-CB 3.34Å; R491-C500 PolarHBondContact O-N 2.98Å; R491-H505 PolarHBondContact NH2-CE1 3.3Å; R491-H505 PolarHBondContact NH2-NE2 3.44Å; R491-H505 PolarHBondContact NH2-O 3.27Å; R491-G507 PolarHBondContact NH1-O 3.46Å; R491-G507 PolarHBondContact NH2-O 3.28Å; R491-C509 PolarHBondContact NE-SG 3.45Å; R491-C509 VanDerWaalsContact NE-SG 3.42Å
492	Q	85.1	Confident	82.4	Confident	109 Å²	109	65.9 Å²	65.9	51%	0.509	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-63.5	134.5	179.5	-149.7	77.5	-2.8	0	0	110.2	D490 K496	D490-Q492 PolarHBondContact O-N 3.22Å; Q492-K496 PolarHBondContact NE2-O 2.81Å
493	L	83.4	Confident	82.3	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-77.8	159.8	174.6	-58.5	-172.6	0	0	0	111	R491 C495 K496 H498 C500 C509 P510 C512	R491-L493 PolarHBondContact O-N 3.13Å; L493-C495 PolarHBondContact O-N 3.21Å; L493-K496 PolarHBondContact O-N 3.48Å; L493-H498 WeakPolarHBondContact CB-O 3.42Å; L493-H498 HydrophobicContact CD1-CB 4.2Å; L493-H498 PolarHBondContact N-O 3.38Å; L493-C500 HydrophobicContact CD2-CB 3.66Å; L493-C509 HydrophobicContact CD2-CB 3.6Å; L493-P510 WeakPolarHBondContact CD2-O 3.44Å; L493-C512 HydrophobicContact CD1-CB 4.1Å
494	S	79.3	Confident	82.2	Confident	100 Å²	100	72.3 Å²	72.3	70%	0.699	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.6	179.4	52.8	0	0	0	0	114.3	K496	S494-K496 PolarHBondContact O-N 2.91Å; S494-K496 VanDerWaalsContact O-N 3.15Å
495	C	83	Confident	82.1	Confident	28 Å²	28	73.5 Å²	73.5	19%	0.189	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-6.4	175.7	72.2	0	0	0	0	115.4	L493 N497 C512	L493-C495 PolarHBondContact O-N 3.21Å; C495-N497 PolarHBondContact O-N 2.86Å; C495-C512 HydrophobicContact CB-CB 4.06Å; C495-C512 VanDerWaalsContact SG-CB 3.59Å
496	K	81.8	Confident	81.8	Confident	165 Å²	165	76 Å²	76	72%	0.717	39%	0.39	S	S	*	.	S	Bend	trans	58.7	-18.7	-175.9	-61.6	-178.5	-178.9	178	0	117.3	Q492 L493 S494	Q492-K496 PolarHBondContact NE2-O 2.81Å; L493-K496 PolarHBondContact O-N 3.48Å; S494-K496 PolarHBondContact O-N 2.91Å; S494-K496 VanDerWaalsContact O-N 3.15Å
497	N	82.4	Confident	81.6	Confident	97 Å²	97	74 Å²	74	52%	0.519	39%	0.392	S	S	.	.	S	Bend	trans	-89.9	-14.9	-178	-65.2	-4.9	0	0	0	114.1	C495	C495-N497 PolarHBondContact O-N 2.86Å
498	H	82.1	Confident	81.5	Confident	52 Å²	52	76.5 Å²	76.5	24%	0.241	41%	0.409	C	S	.	.			trans	-127.9	149.6	-176.2	-61.6	99.5	0	0	0	112	L493 C512 C545	L493-H498 WeakPolarHBondContact CB-O 3.42Å; L493-H498 HydrophobicContact CD1-CB 4.2Å; L493-H498 PolarHBondContact N-O 3.38Å; H498-C512 PolarHBondContact ND1-SG 2.79Å; H498-C545 VanDerWaalsContact CE1-SG 3.53Å
499	K	86.9	Confident	81.5	Confident	123 Å²	123	75.3 Å²	75.3	54%	0.535	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-98.6	156.8	173	-68.3	-176.7	177.3	-174	0	111.3	S501	K499-S501 PolarHBondContact O-N 3.33Å; K499-S501 VanDerWaalsContact O-N 3.1Å
500	C	84.2	Confident	81.4	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.02	42%	0.419	C	S	.	.			trans	-70.1	102.4	176.6	-169.4	0	0	0	0	111.2	V488 C489 D490 R491 L493 N502 C509	V488-C500 WeakPolarHBondContact CG1-O 3.3Å; C489-C500 HydrophobicContact CB-CB 3.98Å; D490-C500 PolarHBondContact N-O 2.9Å; D490-C500 VanDerWaalsContact N-O 3.1Å; R491-C500 WeakPolarHBondContact O-CB 3.34Å; R491-C500 PolarHBondContact O-N 2.98Å; L493-C500 HydrophobicContact CD2-CB 3.66Å; C500-N502 VanDerWaalsContact C-N 3.26Å; C500-N502 PolarHBondContact O-N 2.87Å; C500-C509 HydrophobicContact CB-CB 4.03Å
501	S	82.1	Confident	81.3	Confident	98 Å²	98	76.3 Å²	76.3	69%	0.685	41%	0.414	S	S	*	.			trans	-77.4	-4.4	178.4	54.2	0	0	0	0	114.5	K499	K499-S501 PolarHBondContact O-N 3.33Å; K499-S501 VanDerWaalsContact O-N 3.1Å
502	N	78.6	Confident	81.3	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	40%	0.4	S	S	.	.	S	Bend	trans	-72.4	155.5	172.8	-73.1	-7.6	0	0	0	111	C489 C500 P510	C489-N502 WeakPolarHBondContact CB-O 3.45Å; C489-N502 PolarHBondContact N-O 3.03Å; C500-N502 VanDerWaalsContact C-N 3.26Å; C500-N502 PolarHBondContact O-N 2.87Å; N502-P510 WeakPolarHBondContact ND2-CG 3.45Å
503	F	81.8	Confident	81	Confident	142 Å²	142	71.2 Å²	71.2	62%	0.623	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-63.8	155.7	168.2	-59.8	-71.1	0	0	0	111.8	N486 R487 H505	N486-F503 VanDerWaalsContact O-CD1 3.3Å; N486-F503 WeakPolarHBondContact O-CD1 3.31Å; R487-F503 CarbonylContact O-C 3.59Å; R487-F503 WeakPolarHBondContact O-CA 3.5Å; F503-H505 PolarHBondContact O-CD2 3.25Å; F503-H505 PolarHBondContact O-N 3.45Å; F503-H505 VanDerWaalsContact O-N 3.13Å
504	C	83.2	Confident	80.9	Confident	9 Å²	9	73.5 Å²	73.5	6%	0.061	42%	0.42	C	S	.	.	S	Bend	trans	-46.9	116.4	179.3	-179.5	0	0	0	0	112.2	C371 S484 R487	C371-C504 VanDerWaalsContact SG-SG 3.63Å; S484-C504 WeakPolarHBondContact OG-CB 3.41Å; S484-C504 PolarHBondContact OG-O 2.96Å; R487-C504 PolarHBondContact O-N 3.22Å
505	H	79.7	Confident	80.9	Confident	40 Å²	40	70.6 Å²	70.6	19%	0.185	40%	0.397	C	S	.	.			trans	-130.5	154.1	-173	64.3	82.1	0	0	0	110.3	R491 F503 E508	R491-H505 PolarHBondContact NH2-CE1 3.3Å; R491-H505 PolarHBondContact NH2-NE2 3.44Å; R491-H505 PolarHBondContact NH2-O 3.27Å; F503-H505 PolarHBondContact O-CD2 3.25Å; F503-H505 PolarHBondContact O-N 3.45Å; F503-H505 VanDerWaalsContact O-N 3.13Å; H505-E508 PolarHBondContact CE1-O 2.76Å
506	S	77.1	Confident	80.7	Confident	74 Å²	74	71.1 Å²	71.1	52%	0.517	40%	0.4	S	S	.	.	S	Bend	trans	-68.4	156.1	169.9	50.9	0	0	0	0	111.4
507	G	74.4	Confident	80.5	Confident	54 Å²	54	66.6 Å²	66.6	56%	0.557	39%	0.393	S	S	*	.	S	Bend	trans	73.5	-162.3	179.1	0	0	0	0	0	115.4	R491	R491-G507 PolarHBondContact NH1-O 3.46Å; R491-G507 PolarHBondContact NH2-O 3.28Å
508	E	78.5	Confident	80.3	Confident	181 Å²	181	70 Å²	70	85%	0.846	40%	0.399	S	S	*	.	S	Bend	trans	-79.4	157	-179	-64.2	179.1	-175.2	0	0	112.4	H505	H505-E508 PolarHBondContact CE1-O 2.76Å
509	C	82.7	Confident	80.1	Confident	35 Å²	35	68.6 Å²	68.6	24%	0.236	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-79.3	141	-178.2	-62.6	0	0	0	0	111.4	R491 L493 C500	R491-C509 PolarHBondContact NE-SG 3.45Å; R491-C509 VanDerWaalsContact NE-SG 3.42Å; L493-C509 HydrophobicContact CD2-CB 3.6Å; C500-C509 HydrophobicContact CB-CB 4.03Å
510	P	78.8	Confident	79.8	Confident	56 Å²	56	68 Å²	68	36%	0.364	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66	156.8	177.5	27.2	-33.4	0	0	0	112.2	L493 N502	L493-P510 WeakPolarHBondContact CD2-O 3.44Å; N502-P510 WeakPolarHBondContact ND2-CG 3.45Å
511	P	79.5	Confident	79.8	Confident	53 Å²	53	70.7 Å²	70.7	34%	0.344	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-64.2	162.4	-178.5	26.3	-34.4	0	0	0	113	A513 W518	P511-A513 PolarHBondContact O-N 2.85Å; P511-W518 HydrophobicContact CB-CD2 4.36Å; P511-W518 HydrophobicContact CB-CZ2 4.29Å; P511-W518 HydrophobicContact CG-CD2 3.82Å; P511-W518 VanDerWaalsContact CG-CE2 3.43Å; P511-W518 HydrophobicContact CG-CE3 4.23Å; P511-W518 HydrophobicContact CG-CG 4.42Å; P511-W518 HydrophobicContact CG-CH2 4Å; P511-W518 HydrophobicContact CG-CZ2 3.56Å; P511-W518 HydrophobicContact CG-CZ3 4.3Å
512	C	82.3	Confident	79.8	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.034	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-67.7	126.1	-176.9	175	0	0	0	0	112.1	L493 C495 H498 L514 D515	L493-C512 HydrophobicContact CD1-CB 4.1Å; C495-C512 HydrophobicContact CB-CB 4.06Å; C495-C512 VanDerWaalsContact SG-CB 3.59Å; H498-C512 PolarHBondContact ND1-SG 2.79Å; C512-L514 PolarHBondContact O-N 2.92Å; C512-L514 VanDerWaalsContact O-N 3.13Å; C512-L514 PolarHBondContact SG-N 2.97Å; C512-L514 VanDerWaalsContact SG-N 3.45Å; C512-D515 HydrophobicContact CB-CB 4.14Å; C512-D515 WeakPolarHBondContact O-CB 3.39Å; C512-D515 PolarHBondContact O-N 3.29Å; C512-D515 VanDerWaalsContact O-N 3.09Å
513	A	79.7	Confident	79.9	Confident	82 Å²	82	63.8 Å²	63.8	68%	0.678	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.4	179.9	0	0	0	0	0	115.1	P511 C519	P511-A513 PolarHBondContact O-N 2.85Å; A513-C519 WeakPolarHBondContact O-CB 3.5Å; A513-C519 PolarHBondContact O-SG 3.48Å; A513-C519 VanDerWaalsContact O-SG 3.37Å
514	L	80.6	Confident	79.9	Confident	66 Å²	66	57.6 Å²	57.6	35%	0.346	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.9	175.8	-62.4	177.7	0	0	0	113.2	C512 R542 C545 L549	C512-L514 PolarHBondContact O-N 2.92Å; C512-L514 VanDerWaalsContact O-N 3.13Å; C512-L514 PolarHBondContact SG-N 2.97Å; C512-L514 VanDerWaalsContact SG-N 3.45Å; L514-R542 PolarHBondContact O-NH1 2.84Å; L514-R542 PolarHBondContact O-NH2 2.88Å; L514-C545 HydrophobicContact CB-CB 4.31Å; L514-C545 WeakPolarHBondContact CB-O 3.45Å; L514-C545 WeakPolarHBondContact O-CA 3.49Å; L514-L549 HydrophobicContact CD2-CD1 3.89Å
515	D	80.5	Confident	79.8	Confident	39 Å²	39	59.4 Å²	59.4	21%	0.209	37%	0.365	C	S	.	.	S	Bend	trans	-59.7	133.8	176.6	-170.7	-52.9	0	0	0	110.9	C512 A517 W518 C519	C512-D515 HydrophobicContact CB-CB 4.14Å; C512-D515 WeakPolarHBondContact O-CB 3.39Å; C512-D515 PolarHBondContact O-N 3.29Å; C512-D515 VanDerWaalsContact O-N 3.09Å; D515-A517 PolarHBondContact O-N 2.91Å; D515-A517 VanDerWaalsContact O-N 3.13Å; D515-A517 WeakPolarHBondContact OD1-CB 3.31Å; D515-A517 PolarHBondContact OD1-N 3.33Å; D515-W518 PolarHBondContact O-N 3.47Å; D515-C519 WeakPolarHBondContact O-CB 3.17Å; D515-C519 PolarHBondContact O-N 3.14Å
516	P	77.5	Confident	79.9	Confident	38 Å²	38	63.1 Å²	63.1	25%	0.247	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30	176.9	-27.9	35.9	0	0	0	114.9	W518 R542	P516-W518 VanDerWaalsContact C-N 3.26Å; P516-W518 PolarHBondContact O-N 2.99Å; P516-R542 WeakPolarHBondContact CB-O 3.21Å; P516-R542 HydrophobicContact CG-CB 4.17Å; P516-R542 WeakPolarHBondContact CG-O 3.32Å
517	A	78.5	Confident	80.1	Confident	70 Å²	70	60.3 Å²	60.3	58%	0.579	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.7	177	0	0	0	0	0	113.7	D515	D515-A517 PolarHBondContact O-N 2.91Å; D515-A517 VanDerWaalsContact O-N 3.13Å; D515-A517 WeakPolarHBondContact OD1-CB 3.31Å; D515-A517 PolarHBondContact OD1-N 3.33Å
518	W	77.6	Confident	80.4	Confident	169 Å²	169	60.4 Å²	60.4	64%	0.64	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-25.2	-175.1	-61.9	85.6	0	0	0	113.1	P511 D515 P516 L520	P511-W518 HydrophobicContact CB-CD2 4.36Å; P511-W518 HydrophobicContact CB-CZ2 4.29Å; P511-W518 HydrophobicContact CG-CD2 3.82Å; P511-W518 VanDerWaalsContact CG-CE2 3.43Å; P511-W518 HydrophobicContact CG-CE3 4.23Å; P511-W518 HydrophobicContact CG-CG 4.42Å; P511-W518 HydrophobicContact CG-CH2 4Å; P511-W518 HydrophobicContact CG-CZ2 3.56Å; P511-W518 HydrophobicContact CG-CZ3 4.3Å; D515-W518 PolarHBondContact O-N 3.47Å; P516-W518 VanDerWaalsContact C-N 3.26Å; P516-W518 PolarHBondContact O-N 2.99Å; W518-L520 PolarHBondContact O-N 2.7Å
519	C	78.2	Confident	80.3	Confident	22 Å²	22	52.6 Å²	52.6	15%	0.149	32%	0.315	C	S	.	.			trans	-98.3	68.5	-174.3	-149.8	0	0	0	0	112.6	A513 D515	A513-C519 WeakPolarHBondContact O-CB 3.5Å; A513-C519 PolarHBondContact O-SG 3.48Å; A513-C519 VanDerWaalsContact O-SG 3.37Å; D515-C519 WeakPolarHBondContact O-CB 3.17Å; D515-C519 PolarHBondContact O-N 3.14Å
520	L	80.8	Confident	79.9	Confident	112 Å²	112	55.9 Å²	55.9	59%	0.586	33%	0.334	S	S	*	.			trans	-86.8	0	-168.4	-58.7	177.3	0	0	0	115.9	W518 P528 L529	W518-L520 PolarHBondContact O-N 2.7Å; L520-P528 WeakPolarHBondContact O-CA 3.06Å; L520-L529 PolarHBondContact O-N 3.35Å
521	T	82.7	Confident	79.7	Confident	59 Å²	59	60 Å²	60	36%	0.362	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-137.4	160.9	-173.2	62.8	0	0	0	0	113.5	T527 L529	T521-T527 CarbonylContact C-O 3.56Å; T521-T527 WeakPolarHBondContact CA-O 3.33Å; T521-L529 WeakPolarHBondContact O-CD1 3.15Å
522	C	83.2	Confident	79.2	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.027	33%	0.332	C	S	.	.			trans	-49.4	161.1	171.9	61.8	0	0	0	0	112	C524 G525 K526 T527 C552	C522-C524 HydrophobicContact CB-CB 4.35Å; C522-C524 WeakPolarHBondContact CB-SG 3.39Å; C522-C524 PolarHBondContact O-N 2.87Å; C522-C524 WeakPolarHBondContact SG-CA 3.35Å; C522-C524 WeakPolarHBondContact SG-CB 3.19Å; C522-C524 PolarHBondContact SG-N 2.84Å; C522-C524 CovalentContact SG-SG 2.06Å; C522-C524 PolarHBondContact SG-SG 2.77Å; C522-G525 PolarHBondContact O-N 3.46Å; C522-G525 PolarHBondContact SG-N 3.3Å; C522-K526 PolarHBondContact SG-N 3.4Å; C522-T527 PolarHBondContact N-O 3.31Å; C522-T527 PolarHBondContact SG-N 2.99Å; C522-C552 HydrophobicContact CB-CB 4.48Å
523	P	80.5	Confident	78.6	Confident	30 Å²	30	60 Å²	60	20%	0.195	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-21.2	166.3	-28.1	35.8	0	0	0	114.4	L549 P550 T551 R558 T573	P523-L549 HydrophobicContact CG-CB 4.28Å; P523-P550 WeakPolarHBondContact CD-O 3.49Å; P523-T551 HydrophobicContact CG-CG2 4.48Å; P523-R558 PolarHBondContact O-NH1 2.73Å; P523-T573 HydrophobicContact CG-CG2 4.38Å
524	C	81	Confident	77.7	Confident	12 Å²	12	61.1 Å²	61.1	8%	0.081	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.9	176	62.4	0	0	0	0	116.8	C522 K526 C552 C571	C522-C524 HydrophobicContact CB-CB 4.35Å; C522-C524 WeakPolarHBondContact CB-SG 3.39Å; C522-C524 PolarHBondContact O-N 2.87Å; C522-C524 WeakPolarHBondContact SG-CA 3.35Å; C522-C524 WeakPolarHBondContact SG-CB 3.19Å; C522-C524 PolarHBondContact SG-N 2.84Å; C522-C524 CovalentContact SG-SG 2.06Å; C522-C524 PolarHBondContact SG-SG 2.77Å; C524-K526 PolarHBondContact O-N 3.07Å; C524-C552 PolarHBondContact SG-SG 3.47Å; C524-C571 HydrophobicContact CB-CB 4.12Å; C524-C571 VanDerWaalsContact CB-SG 3.59Å
525	G	81.6	Confident	76.8	Confident	47 Å²	47	63 Å²	63	49%	0.485	36%	0.362	S	S	.	.	S	Bend	trans	67.3	-21.2	-170.2	0	0	0	0	0	116.6	C522 T527	C522-G525 PolarHBondContact O-N 3.46Å; C522-G525 PolarHBondContact SG-N 3.3Å; G525-T527 PolarHBondContact O-N 3.02Å
526	K	81.5	Confident	75.8	Confident	117 Å²	117	64.5 Å²	64.5	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-73.4	-19.6	-171.6	-64.4	-176.8	178.7	-177.6	0	116.5	C522 C524 I555 C556	C522-K526 PolarHBondContact SG-N 3.4Å; C524-K526 PolarHBondContact O-N 3.07Å; K526-I555 WeakPolarHBondContact CE-O 3.24Å; K526-I555 PolarHBondContact NZ-O 3.22Å; K526-C556 VanDerWaalsContact CE-O 3.3Å; K526-C556 WeakPolarHBondContact CE-O 3.05Å
527	T	81.1	Confident	74.9	Confident	16 Å²	16	64.7 Å²	64.7	10%	0.098	39%	0.388	C	S	.	.	S	Bend	trans	-133.7	123.8	-171.5	-54.2	0	0	0	0	110	T521 C522 G525 K531 L532 C552 N554	T521-T527 CarbonylContact C-O 3.56Å; T521-T527 WeakPolarHBondContact CA-O 3.33Å; C522-T527 PolarHBondContact N-O 3.31Å; C522-T527 PolarHBondContact SG-N 2.99Å; G525-T527 PolarHBondContact O-N 3.02Å; T527-K531 HydrophobicContact CG2-CB 4.35Å; T527-L532 HydrophobicContact CG2-CD1 4.48Å; T527-L532 HydrophobicContact CG2-CD2 4.08Å; T527-L532 HydrophobicContact CG2-CG 4.1Å; T527-C552 HydrophobicContact CG2-CB 4.16Å; T527-C552 PolarHBondContact OG1-SG 2.98Å; T527-C552 VanDerWaalsContact OG1-SG 3.33Å; T527-N554 PolarHBondContact OG1-ND2 3.13Å
528	P	81.9	Confident	73.8	Confident	56 Å²	56	68.7 Å²	68.7	36%	0.364	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-71.2	144.2	177	30.5	-34.5	0	0	0	110.7	L520 T530 K531	L520-P528 WeakPolarHBondContact O-CA 3.06Å; P528-T530 PolarHBondContact O-N 3Å; P528-K531 HydrophobicContact CG-CB 4.37Å; P528-K531 PolarHBondContact O-N 3.4Å; P528-K531 VanDerWaalsContact O-N 3.07Å
529	L	76	Confident	72.9	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-57.4	-34.3	-178.6	-105.7	65.7	0	0	0	112.2	L520 T521 K531 L532 V533 R542 L549 P550	L520-L529 PolarHBondContact O-N 3.35Å; T521-L529 WeakPolarHBondContact O-CD1 3.15Å; L529-K531 PolarHBondContact O-N 2.83Å; L529-L532 WeakPolarHBondContact O-CA 3.22Å; L529-L532 WeakPolarHBondContact O-CB 3.29Å; L529-L532 PolarHBondContact O-N 3.37Å; L529-V533 WeakPolarHBondContact O-CG2 3.29Å; L529-V533 PolarHBondContact O-N 3.44Å; L529-R542 HydrophobicContact CD2-CG 4.34Å; L529-L549 HydrophobicContact CD2-CD2 4.47Å; L529-P550 HydrophobicContact CD1-CG 4.22Å; L529-P550 HydrophobicContact CD2-CG 4.35Å; L529-P550 HydrophobicContact CG-CG 3.9Å
530	T	75.2	Confident	72	Confident	103 Å²	103	66.1 Å²	66.1	63%	0.632	39%	0.389	S	S	*	.	H	α-helix	trans	-53.7	-35.8	176.3	53.8	0	0	0	0	113.6	P528 S534	P528-T530 PolarHBondContact O-N 3Å; T530-S534 PolarHBondContact O-N 3.45Å; T530-S534 PolarHBondContact O-OG 3.45Å
531	K	72.8	Confident	71.3	Confident	143 Å²	143	66.4 Å²	66.4	62%	0.622	39%	0.391	S	S	*	.	H	α-helix	trans	-74.9	-25.6	174.8	-93.6	-170.4	170	-174.2	0	113.6	T527 P528 L529 T535	T527-K531 HydrophobicContact CG2-CB 4.35Å; P528-K531 HydrophobicContact CG-CB 4.37Å; P528-K531 PolarHBondContact O-N 3.4Å; P528-K531 VanDerWaalsContact O-N 3.07Å; L529-K531 PolarHBondContact O-N 2.83Å; K531-T535 PolarHBondContact O-OG1 2.77Å
532	L	71	Confident	71	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-78.4	-31.7	177.8	-61.1	171.5	0	0	0	111.3	T527 L529 T535 C537 P550 C552	T527-L532 HydrophobicContact CG2-CD1 4.48Å; T527-L532 HydrophobicContact CG2-CD2 4.08Å; T527-L532 HydrophobicContact CG2-CG 4.1Å; L529-L532 WeakPolarHBondContact O-CA 3.22Å; L529-L532 WeakPolarHBondContact O-CB 3.29Å; L529-L532 PolarHBondContact O-N 3.37Å; L532-T535 WeakPolarHBondContact CA-OG1 3.49Å; L532-T535 PolarHBondContact O-N 3.02Å; L532-T535 PolarHBondContact O-OG1 3.34Å; L532-C537 WeakPolarHBondContact O-CB 3.05Å; L532-C537 PolarHBondContact O-N 2.89Å; L532-P550 HydrophobicContact CB-CG 4.38Å; L532-P550 HydrophobicContact CD1-CB 4.05Å; L532-P550 HydrophobicContact CD1-CG 3.87Å; L532-C552 HydrophobicContact CD1-CB 4.41Å; L532-C552 HydrophobicContact CD2-CB 3.82Å
533	V	68.1	Low	70.6	Confident	49 Å²	49	71.9 Å²	71.9	30%	0.297	41%	0.412	S	S	.	.	H	α-helix	trans	-56.2	-51	167.4	-174.1	0	0	0	0	110.1	L529 T535 G536 N541	L529-V533 WeakPolarHBondContact O-CG2 3.29Å; L529-V533 PolarHBondContact O-N 3.44Å; V533-T535 PolarHBondContact O-N 2.76Å; V533-T535 VanDerWaalsContact O-N 3.11Å; V533-G536 PolarHBondContact O-N 2.74Å; V533-N541 WeakPolarHBondContact CG1-OD1 3.32Å
534	S	61.9	Low	70.6	Confident	105 Å²	105	72.1 Å²	72.1	73%	0.734	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.4	-177.2	-51.6	0	0	0	0	114.5	T530 G536	T530-S534 PolarHBondContact O-N 3.45Å; T530-S534 PolarHBondContact O-OG 3.45Å; S534-G536 VanDerWaalsContact C-N 3.35Å
535	T	61.3	Low	70.6	Confident	107 Å²	107	72 Å²	72	66%	0.656	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	18	176.6	48.9	0	0	0	0	113.6	K531 L532 V533 C537	K531-T535 PolarHBondContact O-OG1 2.77Å; L532-T535 WeakPolarHBondContact CA-OG1 3.49Å; L532-T535 PolarHBondContact O-N 3.02Å; L532-T535 PolarHBondContact O-OG1 3.34Å; V533-T535 PolarHBondContact O-N 2.76Å; V533-T535 VanDerWaalsContact O-N 3.11Å; T535-C537 VanDerWaalsContact C-N 3.3Å; T535-C537 PolarHBondContact O-N 3.19Å
536	G	60.2	Low	70.7	Confident	69 Å²	69	74.3 Å²	74.3	71%	0.711	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	17.5	176.7	0	0	0	0	0	114.5	V533 S534 L538	V533-G536 PolarHBondContact O-N 2.74Å; S534-G536 VanDerWaalsContact C-N 3.35Å; G536-L538 PolarHBondContact O-N 3.43Å
537	C	58.7	Low	70.6	Confident	43 Å²	43	71 Å²	71	29%	0.291	41%	0.406	S	S	.	.			trans	-72.2	115.7	177.6	-167.6	0	0	0	0	109.9	L532 T535 Y539 G540	L532-C537 WeakPolarHBondContact O-CB 3.05Å; L532-C537 PolarHBondContact O-N 2.89Å; T535-C537 VanDerWaalsContact C-N 3.3Å; T535-C537 PolarHBondContact O-N 3.19Å; C537-Y539 PolarHBondContact O-N 3.27Å; C537-G540 PolarHBondContact O-N 2.86Å
538	L	54.3	Low	70.5	Confident	154 Å²	154	73.7 Å²	73.7	81%	0.806	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.6	-173.3	-154.6	75.8	0	0	0	114.1	G536	G536-L538 PolarHBondContact O-N 3.43Å
539	Y	58.7	Low	70.3	Confident	130 Å²	130	73.1 Å²	73.1	51%	0.51	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	14.6	-176.8	-49.9	-68.4	0	0	0	114	C537 R542 P548	C537-Y539 PolarHBondContact O-N 3.27Å; Y539-R542 WeakPolarHBondContact O-CG 3.33Å; Y539-P548 HydrophobicContact CD1-CG 3.52Å; Y539-P548 HydrophobicContact CE1-CG 3.94Å; Y539-P548 HydrophobicContact CG-CG 3.83Å
540	G	59.1	Low	70.4	Confident	7 Å²	7	72.6 Å²	72.6	7%	0.072	42%	0.415	C	S	.	.	S	Bend	trans	-64.5	-40.9	-177.9	0	0	0	0	0	114.2	C537 R542	C537-G540 PolarHBondContact O-N 2.86Å; G540-R542 PolarHBondContact O-N 3.43Å
541	N	67	Low	70.7	Confident	118 Å²	118	71 Å²	71	63%	0.631	41%	0.405	S	S	*	.	S	Bend	trans	-92.8	60.4	-174.5	-73.4	-10.8	0	0	0	112.3	V533 Q543	V533-N541 WeakPolarHBondContact CG1-OD1 3.32Å; N541-Q543 PolarHBondContact O-N 3.24Å; N541-Q543 PolarHBondContact O-NE2 3.38Å
542	R	75.5	Confident	71.2	Confident	17 Å²	17	64.4 Å²	64.4	6%	0.064	38%	0.377	C	S	.	.			trans	-57	120	177.1	-61	179.4	70.2	-111.2	1	110.9	L514 P516 L529 Y539 G540 S544 C545 D547	L514-R542 PolarHBondContact O-NH1 2.84Å; L514-R542 PolarHBondContact O-NH2 2.88Å; P516-R542 WeakPolarHBondContact CB-O 3.21Å; P516-R542 HydrophobicContact CG-CB 4.17Å; P516-R542 WeakPolarHBondContact CG-O 3.32Å; L529-R542 HydrophobicContact CD2-CG 4.34Å; Y539-R542 WeakPolarHBondContact O-CG 3.33Å; G540-R542 PolarHBondContact O-N 3.43Å; R542-S544 PolarHBondContact NH2-O 3.42Å; R542-C545 PolarHBondContact NH2-O 2.69Å; R542-D547 VanDerWaalsContact CA-OD2 3.24Å; R542-D547 WeakPolarHBondContact CA-OD2 3.43Å; R542-D547 HydrophobicContact CB-CB 3.99Å; R542-D547 HydrophobicContact CG-CB 3.84Å; R542-D547 VanDerWaalsContact CZ-O 3.26Å; R542-D547 PolarHBondContact NE-O 3.11Å; R542-D547 PolarHBondContact NH2-O 2.78Å
543	Q	74.6	Confident	71.7	Confident	161 Å²	161	69.3 Å²	69.3	75%	0.752	41%	0.409	S	S	*	.			trans	-97.2	-24.4	174.5	-57	-53.4	-62.1	0	0	111.9	N541 D547	N541-Q543 PolarHBondContact O-N 3.24Å; N541-Q543 PolarHBondContact O-NE2 3.38Å; Q543-D547 PolarHBondContact N-OD2 3.02Å
544	S	80.5	Confident	72.4	Confident	35 Å²	35	70.6 Å²	70.6	25%	0.245	41%	0.414	C	S	.	.	S	Bend	trans	-123.8	156.1	-175.9	93.8	0	0	0	0	112.5	R542 T546 D547	R542-S544 PolarHBondContact NH2-O 3.42Å; S544-T546 PolarHBondContact O-N 2.82Å; S544-T546 PolarHBondContact OG-N 3.26Å; S544-T546 VanDerWaalsContact OG-N 3.11Å; S544-T546 PolarHBondContact OG-OG1 3.29Å; S544-D547 WeakPolarHBondContact CB-OD1 3.49Å; S544-D547 PolarHBondContact N-OD2 3.3Å; S544-D547 PolarHBondContact O-N 2.63Å; S544-D547 PolarHBondContact OG-N 2.97Å; S544-D547 PolarHBondContact OG-OD1 3.5Å
545	C	82.8	Confident	73.4	Confident	10 Å²	10	70 Å²	70	7%	0.068	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.7	171.6	62.3	0	0	0	0	113.3	H498 L514 R542	H498-C545 VanDerWaalsContact CE1-SG 3.53Å; L514-C545 HydrophobicContact CB-CB 4.31Å; L514-C545 WeakPolarHBondContact CB-O 3.45Å; L514-C545 WeakPolarHBondContact O-CA 3.49Å; R542-C545 PolarHBondContact NH2-O 2.69Å
546	T	82.5	Confident	74.6	Confident	94 Å²	94	65 Å²	65	58%	0.577	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.3	177.3	27.8	0	0	0	0	114.1	S544	S544-T546 PolarHBondContact O-N 2.82Å; S544-T546 PolarHBondContact OG-N 3.26Å; S544-T546 VanDerWaalsContact OG-N 3.11Å; S544-T546 PolarHBondContact OG-OG1 3.29Å
547	D	80.7	Confident	75.6	Confident	49 Å²	49	62.7 Å²	62.7	26%	0.262	35%	0.348	S	S	.	.	S	Bend	trans	-70.4	142.4	-180	-58.4	-12.7	0	0	0	110.9	R542 Q543 S544	R542-D547 VanDerWaalsContact CA-OD2 3.24Å; R542-D547 WeakPolarHBondContact CA-OD2 3.43Å; R542-D547 HydrophobicContact CB-CB 3.99Å; R542-D547 HydrophobicContact CG-CB 3.84Å; R542-D547 VanDerWaalsContact CZ-O 3.26Å; R542-D547 PolarHBondContact NE-O 3.11Å; R542-D547 PolarHBondContact NH2-O 2.78Å; Q543-D547 PolarHBondContact N-OD2 3.02Å; S544-D547 WeakPolarHBondContact CB-OD1 3.49Å; S544-D547 PolarHBondContact N-OD2 3.3Å; S544-D547 PolarHBondContact O-N 2.63Å; S544-D547 PolarHBondContact OG-N 2.97Å; S544-D547 PolarHBondContact OG-OD1 3.5Å
548	P	77.2	Confident	76.8	Confident	72 Å²	72	63.5 Å²	63.5	47%	0.468	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.7	-178.5	26.7	-35.2	0	0	0	112.4	Y539	Y539-P548 HydrophobicContact CD1-CG 3.52Å; Y539-P548 HydrophobicContact CE1-CG 3.94Å; Y539-P548 HydrophobicContact CG-CG 3.83Å
549	L	77.7	Confident	78	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.225	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-87.2	121.4	178.2	-74	170	0	0	0	111	L514 P523 L529	L514-L549 HydrophobicContact CD2-CD1 3.89Å; P523-L549 HydrophobicContact CG-CB 4.28Å; L529-L549 HydrophobicContact CD2-CD2 4.47Å
550	P	78.8	Confident	78.9	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.045	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.7	136.6	179.6	28.6	-34.9	0	0	0	111.9	P523 L529 L532	P523-P550 WeakPolarHBondContact CD-O 3.49Å; L529-P550 HydrophobicContact CD1-CG 4.22Å; L529-P550 HydrophobicContact CD2-CG 4.35Å; L529-P550 HydrophobicContact CG-CG 3.9Å; L532-P550 HydrophobicContact CB-CG 4.38Å; L532-P550 HydrophobicContact CD1-CB 4.05Å; L532-P550 HydrophobicContact CD1-CG 3.87Å
551	T	81.9	Confident	79.5	Confident	68 Å²	68	61.3 Å²	61.3	42%	0.417	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-81.1	163.7	170.1	51.9	0	0	0	0	110.7	P523 C571 T573	P523-T551 HydrophobicContact CG-CG2 4.48Å; T551-C571 VanDerWaalsContact CB-O 3.23Å; T551-C571 WeakPolarHBondContact CB-O 3.42Å; T551-C571 WeakPolarHBondContact CG2-O 3.5Å; T551-T573 HydrophobicContact CG2-CG2 4.36Å
552	C	82.3	Confident	79.5	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.041	35%	0.345	C	S	.	.			trans	-121.6	158.1	176.2	81.9	0	0	0	0	110.8	C522 C524 T527 L532 N554 C571	C522-C552 HydrophobicContact CB-CB 4.48Å; C524-C552 PolarHBondContact SG-SG 3.47Å; T527-C552 HydrophobicContact CG2-CB 4.16Å; T527-C552 PolarHBondContact OG1-SG 2.98Å; T527-C552 VanDerWaalsContact OG1-SG 3.33Å; L532-C552 HydrophobicContact CD1-CB 4.41Å; L532-C552 HydrophobicContact CD2-CB 3.82Å; C552-N554 PolarHBondContact O-N 3.16Å; C552-N554 PolarHBondContact SG-ND2 3.04Å; C552-C571 WeakPolarHBondContact O-CB 3.31Å
553	P	81.9	Confident	79.5	Confident	111 Å²	111	60.7 Å²	60.7	72%	0.721	35%	0.351	S	S	*	.	S	Bend	trans	-72.8	7.3	-176.2	30.3	-36.9	0	0	0	114.8	Y570	P553-Y570 WeakPolarHBondContact O-CD1 3.4Å
554	N	82.7	Confident	79.6	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	34%	0.341	S	S	.	.	S	Bend	trans	-87	150.9	-179	-62.3	-72.2	0	0	0	112.2	T527 C552 C556 C571	T527-N554 PolarHBondContact OG1-ND2 3.13Å; C552-N554 PolarHBondContact O-N 3.16Å; C552-N554 PolarHBondContact SG-ND2 3.04Å; N554-C556 PolarHBondContact O-N 3.02Å; N554-C571 PolarHBondContact O-N 3.4Å
555	I	83.9	Confident	79.6	Confident	94 Å²	94	56.8 Å²	56.8	48%	0.482	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-53.5	129.7	164.8	-68.2	170.3	0	0	0	109.4	K526 G557 C567 S568 E569	K526-I555 WeakPolarHBondContact CE-O 3.24Å; K526-I555 PolarHBondContact NZ-O 3.22Å; I555-G557 PolarHBondContact O-N 2.9Å; I555-C567 WeakPolarHBondContact CG2-O 3.49Å; I555-S568 WeakPolarHBondContact CG2-O 3.4Å; I555-E569 CarbonylContact C-O 3.54Å; I555-E569 WeakPolarHBondContact CA-O 3.46Å
556	C	85.4	Confident	79.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.369	C	S	.	.			trans	-52.2	-55.8	-175.3	179.6	0	0	0	0	112.2	K526 N554 R558 C567 E569	K526-C556 VanDerWaalsContact CE-O 3.3Å; K526-C556 WeakPolarHBondContact CE-O 3.05Å; N554-C556 PolarHBondContact O-N 3.02Å; C556-R558 PolarHBondContact O-N 3.35Å; C556-R558 PolarHBondContact SG-NE 2.89Å; C556-R558 PolarHBondContact SG-NH2 2.88Å; C556-C567 HydrophobicContact CB-CB 3.97Å; C556-E569 WeakPolarHBondContact CB-O 3.35Å; C556-E569 PolarHBondContact N-O 3.43Å
557	G	81.9	Confident	79.8	Confident	22 Å²	22	56.7 Å²	56.7	23%	0.227	34%	0.342	C	S	.	.			trans	65.1	2.4	176.5	0	0	0	0	0	116.6	I555 C567	I555-G557 PolarHBondContact O-N 2.9Å; G557-C567 WeakPolarHBondContact CA-O 3.25Å; G557-C567 PolarHBondContact N-O 2.85Å
558	R	83.2	Confident	80	Confident	60 Å²	60	57.5 Å²	57.5	23%	0.226	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-58.5	136.3	171.9	-71.1	-178	-70.8	-154.2	-4.2	109.6	P523 C556 C567 H572 G574	P523-R558 PolarHBondContact O-NH1 2.73Å; C556-R558 PolarHBondContact O-N 3.35Å; C556-R558 PolarHBondContact SG-NE 2.89Å; C556-R558 PolarHBondContact SG-NH2 2.88Å; R558-C567 WeakPolarHBondContact O-CB 3.44Å; R558-C567 PolarHBondContact O-N 3.04Å; R558-H572 PolarHBondContact NH2-CE1 3.44Å; R558-H572 PolarHBondContact NH2-ND1 3.32Å; R558-H572 PolarHBondContact NH2-NE2 2.74Å; R558-H572 PolarHBondContact NH2-O 3.05Å; R558-G574 PolarHBondContact NH2-O 3.21Å
559	P	80.9	Confident	80.2	Confident	92 Å²	92	58.4 Å²	58.4	60%	0.597	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-68.5	134	174.1	28.8	-33.6	0	0	0	109.9
560	R	77.6	Confident	80.6	Confident	22 Å²	22	64.3 Å²	64.3	8%	0.083	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-78.3	126.5	-178.7	-61.7	172.9	-162.5	-125.9	15.7	109.2	L562 C563 G564 H565 T566 S568 C576 P577 P578	R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 2.68Å; R560-L562 VanDerWaalsContact O-N 3.13Å; R560-C563 PolarHBondContact O-N 3.35Å; R560-G564 PolarHBondContact O-N 2.98Å; R560-H565 WeakPolarHBondContact CB-O 3.44Å; R560-H565 VanDerWaalsContact CG-O 3.24Å; R560-H565 WeakPolarHBondContact CG-O 3.22Å; R560-H565 PolarHBondContact N-O 3.22Å; R560-T566 PolarHBondContact NE-O 3Å; R560-T566 VanDerWaalsContact NE-O 3.1Å; R560-S568 PolarHBondContact NH2-OG 2.96Å; R560-C576 HydrophobicContact CG-CB 4.19Å; R560-P577 PolarHBondContact NH1-O 2.97Å; R560-P578 PolarHBondContact NH1-O 3.19Å
561	P	71	Confident	80.9	Confident	130 Å²	130	64.4 Å²	64.4	84%	0.844	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.2	-164.4	23.2	-34.4	0	0	0	114.9
562	L	67.2	Low	81.1	Confident	95 Å²	95	63.1 Å²	63.1	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-26.2	-177.3	-62.9	173.9	0	0	0	114.4	R560	R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 2.68Å; R560-L562 VanDerWaalsContact O-N 3.13Å
563	C	74.6	Confident	81	Confident	27 Å²	27	67.5 Å²	67.5	18%	0.182	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-2.6	-171.3	60.7	0	0	0	0	115.1	R560 H565 I583 C598	R560-C563 PolarHBondContact O-N 3.35Å; C563-H565 PolarHBondContact O-N 3.19Å; C563-I583 HydrophobicContact CB-CD1 4.16Å; C563-C598 HydrophobicContact CB-CB 4.17Å; C563-C598 VanDerWaalsContact CB-SG 3.55Å
564	G	76.3	Confident	80.8	Confident	54 Å²	54	64.6 Å²	64.6	56%	0.557	38%	0.377	S	S	*	.			trans	73.3	-26.3	179.2	0	0	0	0	0	115.4	R560	R560-G564 PolarHBondContact O-N 2.98Å
565	H	81.7	Confident	80.6	Confident	61 Å²	61	66.9 Å²	66.9	28%	0.282	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53.6	144.2	176.2	-61.5	123.6	0	0	0	112.3	R560 C563 L581 C598	R560-H565 WeakPolarHBondContact CB-O 3.44Å; R560-H565 VanDerWaalsContact CG-O 3.24Å; R560-H565 WeakPolarHBondContact CG-O 3.22Å; R560-H565 PolarHBondContact N-O 3.22Å; C563-H565 PolarHBondContact O-N 3.19Å; H565-L581 HydrophobicContact CB-CD1 4.05Å; H565-C598 PolarHBondContact ND1-SG 2.92Å
566	T	84.7	Confident	80.6	Confident	100 Å²	100	63.9 Å²	63.9	61%	0.613	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-73.6	155.3	-178.9	44.3	0	0	0	0	112.7	R560	R560-T566 PolarHBondContact NE-O 3Å; R560-T566 VanDerWaalsContact NE-O 3.1Å
567	C	84.1	Confident	80.3	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-78.5	124.5	173.6	-168.5	0	0	0	0	111.3	I555 C556 G557 R558 C576	I555-C567 WeakPolarHBondContact CG2-O 3.49Å; C556-C567 HydrophobicContact CB-CB 3.97Å; G557-C567 WeakPolarHBondContact CA-O 3.25Å; G557-C567 PolarHBondContact N-O 2.85Å; R558-C567 WeakPolarHBondContact O-CB 3.44Å; R558-C567 PolarHBondContact O-N 3.04Å; C567-C576 HydrophobicContact CB-CB 4.23Å
568	S	84.1	Confident	80.1	Confident	66 Å²	66	70.1 Å²	70.1	46%	0.462	42%	0.419	S	S	.	.			trans	-79.5	-28.1	-179.6	37.8	0	0	0	0	113.7	I555 R560	I555-S568 WeakPolarHBondContact CG2-O 3.4Å; R560-S568 PolarHBondContact NH2-OG 2.96Å
569	E	83.3	Confident	80.1	Confident	91 Å²	91	67.9 Å²	67.9	43%	0.425	41%	0.413	S	S	.	.	S	Bend	trans	-73.9	163.1	-172.6	-50.7	-37.5	114	0	0	112.6	I555 C556 P577	I555-E569 CarbonylContact C-O 3.54Å; I555-E569 WeakPolarHBondContact CA-O 3.46Å; C556-E569 WeakPolarHBondContact CB-O 3.35Å; C556-E569 PolarHBondContact N-O 3.43Å; E569-P577 HydrophobicContact CG-CG 3.63Å
570	Y	85.2	Confident	80	Confident	168 Å²	168	72.4 Å²	72.4	66%	0.659	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-58.1	163.4	168.7	-64.2	-78.5	0	0	0	112.7	P553 H572	P553-Y570 WeakPolarHBondContact O-CD1 3.4Å; Y570-H572 PolarHBondContact O-CD2 3.09Å; Y570-H572 PolarHBondContact O-N 3.41Å
571	C	85.9	Confident	80.2	Confident	9 Å²	9	75.9 Å²	75.9	6%	0.061	45%	0.446	C	S	.	.	S	Bend	trans	-58.7	108.7	179	-179.8	0	0	0	0	111.8	C524 T551 C552 N554	C524-C571 HydrophobicContact CB-CB 4.12Å; C524-C571 VanDerWaalsContact CB-SG 3.59Å; T551-C571 VanDerWaalsContact CB-O 3.23Å; T551-C571 WeakPolarHBondContact CB-O 3.42Å; T551-C571 WeakPolarHBondContact CG2-O 3.5Å; C552-C571 WeakPolarHBondContact O-CB 3.31Å; N554-C571 PolarHBondContact O-N 3.4Å
572	H	84.8	Confident	80.7	Confident	40 Å²	40	73.6 Å²	73.6	19%	0.185	43%	0.433	C	S	.	.			trans	-111.6	155.3	178.1	64.8	87.6	0	0	0	111.3	R558 Y570 G574 P575	R558-H572 PolarHBondContact NH2-CE1 3.44Å; R558-H572 PolarHBondContact NH2-ND1 3.32Å; R558-H572 PolarHBondContact NH2-NE2 2.74Å; R558-H572 PolarHBondContact NH2-O 3.05Å; Y570-H572 PolarHBondContact O-CD2 3.09Å; Y570-H572 PolarHBondContact O-N 3.41Å; H572-G574 PolarHBondContact CE1-O 2.76Å; H572-P575 VanDerWaalsContact CE1-C 3.41Å; H572-P575 PolarHBondContact CE1-O 3.31Å; H572-P575 PolarHBondContact ND1-O 3.01Å
573	T	79.7	Confident	81.3	Confident	99 Å²	99	71.1 Å²	71.1	61%	0.607	42%	0.42	S	S	*	.	S	Bend	trans	-72.2	161	164.6	47.5	0	0	0	0	110.4	P523 T551	P523-T573 HydrophobicContact CG-CG2 4.38Å; T551-T573 HydrophobicContact CG2-CG2 4.36Å
574	G	77.7	Confident	81.6	Confident	49 Å²	49	73.4 Å²	73.4	51%	0.505	44%	0.436	S	S	.	.	S	Bend	trans	70.1	-168.4	179.1	0	0	0	0	0	115.8	R558 H572	R558-G574 PolarHBondContact NH2-O 3.21Å; H572-G574 PolarHBondContact CE1-O 2.76Å
575	P	80.4	Confident	81.7	Confident	125 Å²	125	72.1 Å²	72.1	81%	0.812	42%	0.416	S	S	*	.	S	Bend	trans	-73.5	158.7	-178.3	31.9	-36.1	0	0	0	112.6	H572	H572-P575 VanDerWaalsContact CE1-C 3.41Å; H572-P575 PolarHBondContact CE1-O 3.31Å; H572-P575 PolarHBondContact ND1-O 3.01Å
576	C	81.9	Confident	81.4	Confident	31 Å²	31	77.4 Å²	77.4	21%	0.209	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-74.9	150.7	-178.8	-60.4	0	0	0	0	111.8	R560 C567	R560-C576 HydrophobicContact CG-CB 4.19Å; C567-C576 HydrophobicContact CB-CB 4.23Å
577	P	80.7	Confident	81.1	Confident	52 Å²	52	73 Å²	73	34%	0.338	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62.7	170.2	176.5	22.1	-31.7	0	0	0	114	R560 E569	R560-P577 PolarHBondContact NH1-O 2.97Å; E569-P577 HydrophobicContact CG-CG 3.63Å
578	P	78.1	Confident	80.5	Confident	101 Å²	101	78.5 Å²	78.5	66%	0.656	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-63.6	163	174.4	27.9	-36.5	0	0	0	113.2	R560	R560-P578 PolarHBondContact NH1-O 3.19Å
579	C	82.3	Confident	79.8	Confident	13 Å²	13	77.6 Å²	77.6	9%	0.088	43%	0.425	C	S	.	.			trans	-121.4	141.4	-172.1	-171.7	0	0	0	0	112.4	C598	C579-C598 HydrophobicContact CB-CB 3.97Å; C579-C598 WeakPolarHBondContact O-CB 3.46Å
580	E	78.5	Confident	79.2	Confident	186 Å²	186	76.4 Å²	76.4	87%	0.869	44%	0.437	S	S	*	.			trans	-106.2	-4.1	-170.2	-58.4	-179	162.2	0	0	114
581	L	81.2	Confident	78.5	Confident	96 Å²	96	74.7 Å²	74.7	50%	0.503	44%	0.435	S	S	.	.			trans	-73.7	167.5	-178.7	-63.2	172.1	0	0	0	112.5	H565 T597 C598	H565-L581 HydrophobicContact CB-CD1 4.05Å; L581-T597 CarbonylContact O-C 3.5Å; L581-C598 WeakPolarHBondContact O-CB 3.23Å; L581-C598 PolarHBondContact O-N 3.49Å; L581-C598 PolarHBondContact O-SG 2.72Å
582	S	82.3	Confident	78	Confident	81 Å²	81	76.6 Å²	76.6	57%	0.566	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	152	-175.5	59.8	0	0	0	0	115.1	I596	S582-I596 CarbonylContact C-O 3.55Å; S582-I596 WeakPolarHBondContact CA-O 3.45Å
583	I	79.8	Confident	77.7	Confident	44 Å²	44	78.6 Å²	78.6	23%	0.226	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.4	-177.1	-56.9	177.7	0	0	0	109.9	C563 V595 I596	C563-I583 HydrophobicContact CB-CD1 4.16Å; I583-V595 WeakPolarHBondContact O-CA 3.17Å; I583-I596 PolarHBondContact N-O 3.34Å; I583-I596 PolarHBondContact O-N 3.47Å; I583-I596 VanDerWaalsContact O-O 3.12Å
584	S	81.2	Confident	77.6	Confident	74 Å²	74	79.6 Å²	79.6	52%	0.517	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.1	177.3	-175.2	0	0	0	0	112
585	L	77.3	Confident	77.9	Confident	28 Å²	28	81.7 Å²	81.7	15%	0.147	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.6	179.5	-60.6	179.3	0	0	0	111.1	S593 K594 I596 F601 P611 L613	L585-S593 CarbonylContact O-C 3.55Å; L585-S593 WeakPolarHBondContact O-CA 3.44Å; L585-S593 VanDerWaalsContact O-CB 3.27Å; L585-S593 WeakPolarHBondContact O-CB 3.45Å; L585-K594 PolarHBondContact N-O 3.23Å; L585-K594 PolarHBondContact O-N 3.15Å; L585-I596 HydrophobicContact CD1-CD1 3.69Å; L585-I596 HydrophobicContact CD1-CG1 4.26Å; L585-I596 HydrophobicContact CG-CD1 4.45Å; L585-F601 HydrophobicContact CD2-CD2 4.37Å; L585-F601 HydrophobicContact CD2-CE2 4.13Å; L585-P611 HydrophobicContact CD1-CB 4.37Å; L585-P611 HydrophobicContact CD1-CG 4.04Å; L585-L613 HydrophobicContact CB-CD1 3.54Å; L585-L613 HydrophobicContact CD1-CD1 3.97Å; L585-L613 HydrophobicContact CG-CD1 4.42Å
586	K	75.9	Confident	77.9	Confident	172 Å²	172	76.3 Å²	76.3	75%	0.748	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.6	176.6	-65	-179.7	-178.1	176.8	0	110.6
587	C	78.3	Confident	78	Confident	8 Å²	8	77.2 Å²	77.2	5%	0.054	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-78.1	147	-178.2	176.5	0	0	0	0	113.4	C589 G590 S592 L613 C614 C615	C587-C589 PolarHBondContact O-N 3.07Å; C587-C589 VanDerWaalsContact O-N 3.11Å; C587-C589 PolarHBondContact SG-N 3.4Å; C587-C589 PolarHBondContact SG-SG 3.35Å; C587-G590 WeakPolarHBondContact O-CA 3.5Å; C587-G590 PolarHBondContact O-N 2.78Å; C587-S592 VanDerWaalsContact CB-O 3.29Å; C587-S592 WeakPolarHBondContact CB-O 3.46Å; C587-S592 WeakPolarHBondContact CB-OG 3.14Å; C587-S592 PolarHBondContact N-O 2.9Å; C587-L613 CarbonylContact C-O 3.48Å; C587-L613 WeakPolarHBondContact CA-O 3.39Å; C587-L613 HydrophobicContact CB-CB 3.95Å; C587-L613 PolarHBondContact SG-O 2.77Å; C587-C614 VanDerWaalsContact SG-C 3.6Å; C587-C615 PolarHBondContact SG-N 2.82Å; C587-C615 VanDerWaalsContact SG-N 3.36Å
588	R	71.3	Confident	78	Confident	116 Å²	116	75.1 Å²	75.1	44%	0.438	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-37.9	172.2	-73.1	-174.1	176.3	157.7	-4.9	113.3	G590 E612 L613	R588-G590 VanDerWaalsContact C-N 3.29Å; R588-G590 PolarHBondContact O-N 2.97Å; R588-E612 WeakPolarHBondContact CG-OE2 3.37Å; R588-E612 IonicContact CZ-OE1 2.78Å; R588-E612 IonicContact CZ-OE2 2.65Å; R588-E612 VanDerWaalsContact NE-CD 3.27Å; R588-E612 IonicContact NE-OE1 2.83Å; R588-E612 PolarHBondContact NE-OE1 3.13Å; R588-E612 IonicContact NE-OE2 2.67Å; R588-E612 PolarHBondContact NE-OE2 2.89Å; R588-E612 VanDerWaalsContact NH2-CD 3.27Å; R588-E612 IonicContact NH2-OE1 2.73Å; R588-E612 PolarHBondContact NH2-OE1 3.34Å; R588-E612 IonicContact NH2-OE2 3.22Å; R588-L613 PolarHBondContact N-O 3.05Å
589	C	69.6	Low	78	Confident	46 Å²	46	74.9 Å²	74.9	31%	0.311	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.3	179.9	78.8	0	0	0	0	114.6	C587 Q591 C615	C587-C589 PolarHBondContact O-N 3.07Å; C587-C589 VanDerWaalsContact O-N 3.11Å; C587-C589 PolarHBondContact SG-N 3.4Å; C587-C589 PolarHBondContact SG-SG 3.35Å; C589-Q591 PolarHBondContact O-N 3.43Å; C589-Q591 VanDerWaalsContact O-N 3.15Å; C589-C615 HydrophobicContact CB-CB 4.47Å; C589-C615 WeakPolarHBondContact CB-SG 3.39Å; C589-C615 WeakPolarHBondContact SG-CB 3.45Å; C589-C615 CovalentContact SG-SG 2.05Å; C589-C615 PolarHBondContact SG-SG 3.48Å
590	G	71.2	Confident	77.8	Confident	66 Å²	66	78.2 Å²	78.2	68%	0.68	43%	0.426	S	S	*	.	S	Bend	trans	73.1	-5.6	177.8	0	0	0	0	0	116.3	C587 R588	C587-G590 WeakPolarHBondContact O-CA 3.5Å; C587-G590 PolarHBondContact O-N 2.78Å; R588-G590 VanDerWaalsContact C-N 3.29Å; R588-G590 PolarHBondContact O-N 2.97Å
591	Q	70.3	Confident	77.6	Confident	133 Å²	133	70.8 Å²	70.8	62%	0.621	39%	0.391	S	S	*	.	S	Bend	trans	-104.6	9.7	-170.5	-64.4	-162.4	-15.4	0	0	115.8	C589	C589-Q591 PolarHBondContact O-N 3.43Å; C589-Q591 VanDerWaalsContact O-N 3.15Å
592	S	75.2	Confident	77.2	Confident	49 Å²	49	67.5 Å²	67.5	34%	0.343	38%	0.375	S	S	.	.			trans	-153.8	160.5	173.2	58.4	0	0	0	0	112.2	C587	C587-S592 VanDerWaalsContact CB-O 3.29Å; C587-S592 WeakPolarHBondContact CB-O 3.46Å; C587-S592 WeakPolarHBondContact CB-OG 3.14Å; C587-S592 PolarHBondContact N-O 2.9Å
593	S	78.4	Confident	76.7	Confident	82 Å²	82	69.6 Å²	69.6	57%	0.573	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.2	-179.1	50.9	0	0	0	0	111.2	L585	L585-S593 CarbonylContact O-C 3.55Å; L585-S593 WeakPolarHBondContact O-CA 3.44Å; L585-S593 VanDerWaalsContact O-CB 3.27Å; L585-S593 WeakPolarHBondContact O-CB 3.45Å
594	K	78.5	Confident	76.1	Confident	120 Å²	120	71.4 Å²	71.4	52%	0.522	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.3	178.9	-177.2	-179.1	176.3	-172.3	0	110.2	L585 I596 L613	L585-K594 PolarHBondContact N-O 3.23Å; L585-K594 PolarHBondContact O-N 3.15Å; K594-I596 HydrophobicContact CD-CG2 4.28Å; K594-I596 HydrophobicContact CG-CG2 4.36Å; K594-L613 HydrophobicContact CB-CD1 4.34Å; K594-L613 HydrophobicContact CB-CD2 3.88Å
595	V	84	Confident	75.3	Confident	93 Å²	93	69.1 Å²	69.1	56%	0.564	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.5	172	-176.7	0	0	0	0	109.5	I583	I583-V595 WeakPolarHBondContact O-CA 3.17Å
596	I	80.8	Confident	74.5	Confident	11 Å²	11	72.9 Å²	72.9	6%	0.056	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	164.5	175.4	59	170.4	0	0	0	110.7	S582 I583 L585 K594 E600 F601 L604	S582-I596 CarbonylContact C-O 3.55Å; S582-I596 WeakPolarHBondContact CA-O 3.45Å; I583-I596 PolarHBondContact N-O 3.34Å; I583-I596 PolarHBondContact O-N 3.47Å; I583-I596 VanDerWaalsContact O-O 3.12Å; L585-I596 HydrophobicContact CD1-CD1 3.69Å; L585-I596 HydrophobicContact CD1-CG1 4.26Å; L585-I596 HydrophobicContact CG-CD1 4.45Å; K594-I596 HydrophobicContact CD-CG2 4.28Å; K594-I596 HydrophobicContact CG-CG2 4.36Å; I596-E600 HydrophobicContact CB-CB 4.18Å; I596-F601 HydrophobicContact CD1-CB 4Å; I596-F601 HydrophobicContact CD1-CD2 4.2Å; I596-L604 HydrophobicContact CD1-CD1 3.72Å
597	T	83.2	Confident	73.7	Confident	50 Å²	50	73.3 Å²	73.3	31%	0.307	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	161.4	173	61.3	0	0	0	0	112.6	L581 Q599 E600 F601	L581-T597 CarbonylContact O-C 3.5Å; T597-Q599 PolarHBondContact O-N 3.31Å; T597-E600 WeakPolarHBondContact CB-OE2 3.45Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.44Å; T597-E600 PolarHBondContact N-OE2 3.15Å; T597-E600 PolarHBondContact O-N 3.46Å; T597-E600 WeakPolarHBondContact OG1-CB 3.43Å; T597-E600 VanDerWaalsContact OG1-CG 3.25Å; T597-E600 WeakPolarHBondContact OG1-CG 3.47Å; T597-E600 PolarHBondContact OG1-N 3.04Å; T597-E600 VanDerWaalsContact OG1-N 3.08Å; T597-E600 PolarHBondContact OG1-OE2 3.47Å; T597-F601 WeakPolarHBondContact O-CB 3.18Å; T597-F601 PolarHBondContact O-N 3.41Å
598	C	81	Confident	72.5	Confident	8 Å²	8	81.9 Å²	81.9	5%	0.054	43%	0.43	C	S	.	.	H	α-helix	trans	-62.4	-31.5	172	-70.1	0	0	0	0	111.9	C563 H565 C579 L581 F601 S602	C563-C598 HydrophobicContact CB-CB 4.17Å; C563-C598 VanDerWaalsContact CB-SG 3.55Å; H565-C598 PolarHBondContact ND1-SG 2.92Å; C579-C598 HydrophobicContact CB-CB 3.97Å; C579-C598 WeakPolarHBondContact O-CB 3.46Å; L581-C598 WeakPolarHBondContact O-CB 3.23Å; L581-C598 PolarHBondContact O-N 3.49Å; L581-C598 PolarHBondContact O-SG 2.72Å; C598-F601 PolarHBondContact O-N 3.37Å; C598-S602 PolarHBondContact O-N 2.78Å
599	Q	77.1	Confident	71.9	Confident	97 Å²	97	78.1 Å²	78.1	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-73.2	-37	177.2	-156.9	-166.4	59.1	0	0	111.9	T597 K603	T597-Q599 PolarHBondContact O-N 3.31Å; Q599-K603 VanDerWaalsContact O-CG 3.31Å; Q599-K603 WeakPolarHBondContact O-CG 3.34Å; Q599-K603 PolarHBondContact O-N 3.37Å; Q599-K603 VanDerWaalsContact O-N 3.1Å
600	E	78	Confident	71.3	Confident	83 Å²	83	81.3 Å²	81.3	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-40.5	168.3	-73.1	165.9	114.3	0	0	111.8	I596 T597 S602 K603 L604	I596-E600 HydrophobicContact CB-CB 4.18Å; T597-E600 WeakPolarHBondContact CB-OE2 3.45Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.44Å; T597-E600 PolarHBondContact N-OE2 3.15Å; T597-E600 PolarHBondContact O-N 3.46Å; T597-E600 WeakPolarHBondContact OG1-CB 3.43Å; T597-E600 VanDerWaalsContact OG1-CG 3.25Å; T597-E600 WeakPolarHBondContact OG1-CG 3.47Å; T597-E600 PolarHBondContact OG1-N 3.04Å; T597-E600 VanDerWaalsContact OG1-N 3.08Å; T597-E600 PolarHBondContact OG1-OE2 3.47Å; E600-S602 VanDerWaalsContact C-N 3.32Å; E600-S602 PolarHBondContact O-N 3.44Å; E600-K603 PolarHBondContact O-N 3.15Å; E600-L604 VanDerWaalsContact O-CG 3.28Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 2.88Å
601	F	75.1	Confident	70.7	Confident	30 Å²	30	79.4 Å²	79.4	13%	0.132	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-41.7	175.8	-175.2	-92.9	0	0	0	111.5	L585 I596 T597 C598 L604 S605 P611	L585-F601 HydrophobicContact CD2-CD2 4.37Å; L585-F601 HydrophobicContact CD2-CE2 4.13Å; I596-F601 HydrophobicContact CD1-CB 4Å; I596-F601 HydrophobicContact CD1-CD2 4.2Å; T597-F601 WeakPolarHBondContact O-CB 3.18Å; T597-F601 PolarHBondContact O-N 3.41Å; C598-F601 PolarHBondContact O-N 3.37Å; F601-L604 PolarHBondContact O-N 3.11Å; F601-S605 WeakPolarHBondContact O-CB 3.43Å; F601-S605 PolarHBondContact O-N 3.09Å; F601-S605 PolarHBondContact O-OG 2.83Å; F601-P611 HydrophobicContact CD2-CG 3.73Å; F601-P611 HydrophobicContact CE2-CG 3.62Å; F601-P611 HydrophobicContact CZ-CG 4.5Å
602	S	72.7	Confident	70.2	Confident	26 Å²	26	78.3 Å²	78.3	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-58.6	-56.1	170.8	-164.4	0	0	0	0	111.2	C598 E600 L604 S605 D606	C598-S602 PolarHBondContact O-N 2.78Å; E600-S602 VanDerWaalsContact C-N 3.32Å; E600-S602 PolarHBondContact O-N 3.44Å; S602-L604 CarbonylContact O-C 3.55Å; S602-L604 PolarHBondContact O-N 2.89Å; S602-S605 WeakPolarHBondContact CA-OG 3.25Å; S602-S605 PolarHBondContact O-N 3.08Å; S602-S605 PolarHBondContact O-OG 3.11Å; S602-D606 VanDerWaalsContact C-OD2 3.23Å; S602-D606 WeakPolarHBondContact O-CB 3.28Å; S602-D606 PolarHBondContact O-N 3.3Å; S602-D606 PolarHBondContact OG-OD2 3.27Å
603	K	72.5	Confident	69.9	Low	125 Å²	125	78 Å²	78	54%	0.543	41%	0.409	S	S	.	.	H	α-helix	trans	-56.1	-24.3	-179.3	-72.3	166.9	178.9	168.4	0	113.9	Q599 E600	Q599-K603 VanDerWaalsContact O-CG 3.31Å; Q599-K603 WeakPolarHBondContact O-CG 3.34Å; Q599-K603 PolarHBondContact O-N 3.37Å; Q599-K603 VanDerWaalsContact O-N 3.1Å; E600-K603 PolarHBondContact O-N 3.15Å
604	L	67.5	Low	69.4	Low	82 Å²	82	77.4 Å²	77.4	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-84.9	-45.6	172.2	-68.6	165.6	0	0	0	112.2	I596 E600 F601 S602 D606 K607 E608 P611	I596-L604 HydrophobicContact CD1-CD1 3.72Å; E600-L604 VanDerWaalsContact O-CG 3.28Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 2.88Å; F601-L604 PolarHBondContact O-N 3.11Å; S602-L604 CarbonylContact O-C 3.55Å; S602-L604 PolarHBondContact O-N 2.89Å; L604-D606 VanDerWaalsContact C-N 3.27Å; L604-D606 PolarHBondContact O-N 3.22Å; L604-K607 PolarHBondContact O-N 3.23Å; L604-E608 PolarHBondContact O-N 3.47Å; L604-P611 HydrophobicContact CB-CB 3.94Å; L604-P611 HydrophobicContact CB-CG 3.99Å; L604-P611 HydrophobicContact CD1-CB 4.16Å; L604-P611 HydrophobicContact CD1-CG 4.31Å
605	S	63.3	Low	69.1	Low	26 Å²	26	72.3 Å²	72.3	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-34.2	178.9	62.5	0	0	0	0	113.5	F601 S602 K607 G609	F601-S605 WeakPolarHBondContact O-CB 3.43Å; F601-S605 PolarHBondContact O-N 3.09Å; F601-S605 PolarHBondContact O-OG 2.83Å; S602-S605 WeakPolarHBondContact CA-OG 3.25Å; S602-S605 PolarHBondContact O-N 3.08Å; S602-S605 PolarHBondContact O-OG 3.11Å; S605-K607 PolarHBondContact O-N 3.08Å; S605-K607 VanDerWaalsContact O-N 3.17Å; S605-G609 WeakPolarHBondContact CA-O 3.43Å; S605-G609 PolarHBondContact O-N 3.42Å
606	D	61.3	Low	68.8	Low	108 Å²	108	76.8 Å²	76.8	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-72.5	-3.8	-177.5	-55.7	-25.1	0	0	0	112.7	S602 L604	S602-D606 VanDerWaalsContact C-OD2 3.23Å; S602-D606 WeakPolarHBondContact O-CB 3.28Å; S602-D606 PolarHBondContact O-N 3.3Å; S602-D606 PolarHBondContact OG-OD2 3.27Å; L604-D606 VanDerWaalsContact C-N 3.27Å; L604-D606 PolarHBondContact O-N 3.22Å
607	K	58.3	Low	68.5	Low	181 Å²	181	83.2 Å²	83.2	79%	0.787	42%	0.422	S	S	*	.	H	α-helix	trans	-119.9	-42.6	179.6	-67.3	-165.2	174.4	-166.9	0	115.2	L604 S605	L604-K607 PolarHBondContact O-N 3.23Å; S605-K607 PolarHBondContact O-N 3.08Å; S605-K607 VanDerWaalsContact O-N 3.17Å
608	E	53.9	Low	68.2	Low	188 Å²	188	85.7 Å²	85.7	88%	0.879	43%	0.432	S	S	*	.	H	α-helix	trans	-131.2	12.8	-172.8	-63.1	-170.3	159.4	0	0	113.9	L604	L604-E608 PolarHBondContact O-N 3.47Å
609	G	57.5	Low	68.2	Low	36 Å²	36	85.9 Å²	85.9	37%	0.371	43%	0.433	S	S	.	.	S	Bend	trans	73.8	-156.6	-172.1	0	0	0	0	0	111.9	S605 P611	S605-G609 WeakPolarHBondContact CA-O 3.43Å; S605-G609 PolarHBondContact O-N 3.42Å; G609-P611 VanDerWaalsContact O-CD 3.3Å; G609-P611 WeakPolarHBondContact O-CD 3.1Å; G609-P611 VanDerWaalsContact O-N 3.13Å
610	V	58.4	Low	68.2	Low	113 Å²	113	90.2 Å²	90.2	69%	0.685	45%	0.451	S	S	*	.	S	Bend	trans	-60	118.9	-172.7	-177.5	0	0	0	0	110.6	E612	V610-E612 PolarHBondContact O-N 2.78Å
611	P	58.2	Low	68.2	Low	27 Å²	27	91.3 Å²	91.3	18%	0.175	45%	0.454	C	S	.	.			trans	-69.9	101.1	-173	23.8	-32.8	0	0	0	112.8	L585 F601 L604 G609	L585-P611 HydrophobicContact CD1-CB 4.37Å; L585-P611 HydrophobicContact CD1-CG 4.04Å; F601-P611 HydrophobicContact CD2-CG 3.73Å; F601-P611 HydrophobicContact CE2-CG 3.62Å; F601-P611 HydrophobicContact CZ-CG 4.5Å; L604-P611 HydrophobicContact CB-CB 3.94Å; L604-P611 HydrophobicContact CB-CG 3.99Å; L604-P611 HydrophobicContact CD1-CB 4.16Å; L604-P611 HydrophobicContact CD1-CG 4.31Å; G609-P611 VanDerWaalsContact O-CD 3.3Å; G609-P611 WeakPolarHBondContact O-CD 3.1Å; G609-P611 VanDerWaalsContact O-N 3.13Å
612	E	60	Low	68.5	Low	109 Å²	109	97.1 Å²	97.1	51%	0.509	48%	0.479	S	S	.	.			trans	-89.8	111.4	179.3	-68.6	-163.6	-101.2	0	0	112.3	R588 V610 C614	R588-E612 WeakPolarHBondContact CG-OE2 3.37Å; R588-E612 IonicContact CZ-OE1 2.78Å; R588-E612 IonicContact CZ-OE2 2.65Å; R588-E612 VanDerWaalsContact NE-CD 3.27Å; R588-E612 IonicContact NE-OE1 2.83Å; R588-E612 PolarHBondContact NE-OE1 3.13Å; R588-E612 IonicContact NE-OE2 2.67Å; R588-E612 PolarHBondContact NE-OE2 2.89Å; R588-E612 VanDerWaalsContact NH2-CD 3.27Å; R588-E612 IonicContact NH2-OE1 2.73Å; R588-E612 PolarHBondContact NH2-OE1 3.34Å; R588-E612 IonicContact NH2-OE2 3.22Å; V610-E612 PolarHBondContact O-N 2.78Å; E612-C614 PolarHBondContact O-N 3.31Å
613	L	67.6	Low	68.9	Low	43 Å²	43	97 Å²	97	23%	0.225	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-63.4	127.6	171.1	-91.3	95.8	0	0	0	110.8	L585 C587 R588 K594	L585-L613 HydrophobicContact CB-CD1 3.54Å; L585-L613 HydrophobicContact CD1-CD1 3.97Å; L585-L613 HydrophobicContact CG-CD1 4.42Å; C587-L613 CarbonylContact C-O 3.48Å; C587-L613 WeakPolarHBondContact CA-O 3.39Å; C587-L613 HydrophobicContact CB-CB 3.95Å; C587-L613 PolarHBondContact SG-O 2.77Å; R588-L613 PolarHBondContact N-O 3.05Å; K594-L613 HydrophobicContact CB-CD1 4.34Å; K594-L613 HydrophobicContact CB-CD2 3.88Å
614	C	69.1	Low	69.2	Low	69 Å²	69	95.3 Å²	95.3	47%	0.466	47%	0.473	S	S	.	.			trans	-111.2	147.2	168.8	-66.6	0	0	0	0	110.3	C587 E612 C634	C587-C614 VanDerWaalsContact SG-C 3.6Å; E612-C614 PolarHBondContact O-N 3.31Å; C614-C634 HydrophobicContact CB-CB 4.38Å
615	C	72.1	Confident	69.7	Low	14 Å²	14	92 Å²	92	10%	0.095	46%	0.457	C	S	.	.			trans	-106.7	137.1	-179.9	68.3	0	0	0	0	111.5	C587 C589 R617 C634	C587-C615 PolarHBondContact SG-N 2.82Å; C587-C615 VanDerWaalsContact SG-N 3.36Å; C589-C615 HydrophobicContact CB-CB 4.47Å; C589-C615 WeakPolarHBondContact CB-SG 3.39Å; C589-C615 WeakPolarHBondContact SG-CB 3.45Å; C589-C615 CovalentContact SG-SG 2.05Å; C589-C615 PolarHBondContact SG-SG 3.48Å; C615-R617 PolarHBondContact O-N 3.49Å; C615-C634 WeakPolarHBondContact O-CB 3.35Å
616	Q	77.7	Confident	70.2	Confident	187 Å²	187	93 Å²	93	87%	0.874	47%	0.47	S	S	*	.	S	Bend	trans	-74.1	38.1	178.5	-62.9	178.2	-6.7	0	0	113.3
617	R	73.9	Confident	70.9	Confident	145 Å²	145	94.9 Å²	94.9	55%	0.547	47%	0.469	S	S	.	.			trans	-108.9	133.2	-178.6	-66.1	-176.2	177.6	169.9	4	110.8	C615 C619 C634	C615-R617 PolarHBondContact O-N 3.49Å; R617-C619 PolarHBondContact O-N 3.48Å; R617-C634 PolarHBondContact O-N 3.08Å; R617-C634 VanDerWaalsContact O-N 3.07Å
618	I	78.1	Confident	71.9	Confident	103 Å²	103	89.2 Å²	89.2	53%	0.528	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-66	127.9	175.7	-60.3	170.9	0	0	0	110.1	K620 L633	I618-K620 PolarHBondContact O-N 2.84Å; I618-L633 HydrophobicContact CG1-CD2 3.71Å
619	C	79.7	Confident	73.3	Confident	11 Å²	11	87.3 Å²	87.3	7%	0.074	43%	0.434	C	S	.	.			trans	-69.6	113.8	178	179.8	0	0	0	0	111.4	R617 C630 T632 C635 H640	R617-C619 PolarHBondContact O-N 3.48Å; C619-C630 HydrophobicContact CB-CB 4.25Å; C619-C630 CarbonylContact O-C 3.51Å; C619-C630 VanDerWaalsContact O-C 3.28Å; C619-C630 WeakPolarHBondContact O-CB 3.11Å; C619-T632 VanDerWaalsContact CB-O 3.25Å; C619-T632 WeakPolarHBondContact CB-O 3.49Å; C619-T632 PolarHBondContact N-O 3.29Å; C619-C635 HydrophobicContact CB-CB 3.54Å; C619-C635 WeakPolarHBondContact CB-SG 3.35Å; C619-C635 WeakPolarHBondContact SG-CB 3.29Å; C619-C635 CovalentContact SG-SG 2.03Å; C619-C635 PolarHBondContact SG-SG 3.35Å; C619-H640 PolarHBondContact SG-NE2 3.43Å; C619-H640 VanDerWaalsContact SG-NE2 3.4Å
620	K	78.4	Confident	74.4	Confident	189 Å²	189	86.3 Å²	86.3	82%	0.822	42%	0.421	S	S	*	.			trans	-93.3	13.9	-176.3	-63.1	-177.6	-179	178.1	0	114.7	I618	I618-K620 PolarHBondContact O-N 2.84Å
621	K	77.8	Confident	75.2	Confident	105 Å²	105	89.3 Å²	89.3	46%	0.457	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-65.7	154	178.3	-67.6	173.4	180	167.4	0	111.1	C630 D637 H640	K621-C630 WeakPolarHBondContact O-CB 3.2Å; K621-C630 PolarHBondContact O-N 2.9Å; K621-D637 PolarHBondContact NZ-O 2.72Å; K621-H640 VanDerWaalsContact CD-CE1 3.44Å; K621-H640 WeakPolarHBondContact CD-CE1 3.32Å
622	K	80.6	Confident	76.1	Confident	152 Å²	152	91.5 Å²	91.5	66%	0.661	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-79.3	146.6	172.8	-71.4	-170.8	178.2	-173	0	111.1
623	L	81	Confident	76.9	Confident	23 Å²	23	91.5 Å²	91.5	12%	0.12	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-81.5	156.3	169.1	-55.5	179.4	0	0	0	110.1	C625 G626 H628 C630 H640 C642	L623-C625 PolarHBondContact O-N 3.42Å; L623-C625 VanDerWaalsContact O-N 3.13Å; L623-G626 PolarHBondContact O-N 3.14Å; L623-H628 HydrophobicContact CB-CB 4.41Å; L623-H628 HydrophobicContact CD1-CB 3.77Å; L623-H628 HydrophobicContact CG-CB 4.36Å; L623-H628 PolarHBondContact N-O 2.78Å; L623-C630 HydrophobicContact CD2-CB 4.12Å; L623-H640 CarbonylContact C-O 3.49Å; L623-H640 WeakPolarHBondContact CA-O 2.99Å; L623-H640 HydrophobicContact CD2-CB 3.69Å; L623-C642 HydrophobicContact CB-CB 4.35Å; L623-C642 HydrophobicContact CD1-CB 4.46Å
624	I	78.9	Confident	77.2	Confident	91 Å²	91	90.2 Å²	90.2	47%	0.467	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	-173.6	-72.4	161.7	0	0	0	113.1	G626 M639 H640	I624-G626 PolarHBondContact O-N 3.26Å; I624-G626 VanDerWaalsContact O-N 3.1Å; I624-M639 HydrophobicContact CD1-CB 4.44Å; I624-H640 WeakPolarHBondContact CB-O 3.26Å; I624-H640 WeakPolarHBondContact CD1-O 3.26Å; I624-H640 VanDerWaalsContact CG1-O 3.23Å; I624-H640 WeakPolarHBondContact CG1-O 3.36Å; I624-H640 PolarHBondContact N-O 3.19Å
625	C	78.2	Confident	77.2	Confident	13 Å²	13	88 Å²	88	9%	0.088	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9	173.6	68.3	0	0	0	0	114.3	L623 R627 H628 C642 C661	L623-C625 PolarHBondContact O-N 3.42Å; L623-C625 VanDerWaalsContact O-N 3.13Å; C625-R627 PolarHBondContact O-N 2.86Å; C625-H628 PolarHBondContact SG-N 2.72Å; C625-C642 HydrophobicContact CB-CB 3.83Å; C625-C661 HydrophobicContact CB-CB 4.41Å; C625-C661 WeakPolarHBondContact CB-O 3.44Å
626	G	73.6	Confident	77	Confident	45 Å²	45	92.7 Å²	92.7	46%	0.464	45%	0.445	S	S	.	.	S	Bend	trans	73.8	-25.4	178.7	0	0	0	0	0	115.5	L623 I624	L623-G626 PolarHBondContact O-N 3.14Å; I624-G626 PolarHBondContact O-N 3.26Å; I624-G626 VanDerWaalsContact O-N 3.1Å
627	R	77	Confident	76.3	Confident	149 Å²	149	87.8 Å²	87.8	56%	0.562	42%	0.424	S	S	*	.	S	Bend	trans	-83.2	-35.4	-178.9	-66	-177.3	173.7	-158	-6.7	113.3	C625	C625-R627 PolarHBondContact O-N 2.86Å
628	H	79.3	Confident	75.8	Confident	62 Å²	62	87.1 Å²	87.1	29%	0.287	44%	0.437	S	S	.	.			trans	-106.5	159.7	-171.7	-54.6	147.5	0	0	0	112.5	L623 C625 C642 E644	L623-H628 HydrophobicContact CB-CB 4.41Å; L623-H628 HydrophobicContact CD1-CB 3.77Å; L623-H628 HydrophobicContact CG-CB 4.36Å; L623-H628 PolarHBondContact N-O 2.78Å; C625-H628 PolarHBondContact SG-N 2.72Å; H628-C642 PolarHBondContact ND1-SG 3.43Å; H628-E644 WeakPolarHBondContact ND1-CG 2.99Å
629	K	81.7	Confident	75.3	Confident	148 Å²	148	88.6 Å²	88.6	64%	0.643	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-116.8	150.5	179.6	-60.4	175.1	-171.8	170.1	0	109.4
630	C	80.3	Confident	75	Confident	15 Å²	15	88.7 Å²	88.7	10%	0.101	44%	0.443	C	S	.	.			trans	-61.8	153.5	169.7	-164.9	0	0	0	0	110.8	C619 K621 L623 T632 H640	C619-C630 HydrophobicContact CB-CB 4.25Å; C619-C630 CarbonylContact O-C 3.51Å; C619-C630 VanDerWaalsContact O-C 3.28Å; C619-C630 WeakPolarHBondContact O-CB 3.11Å; K621-C630 WeakPolarHBondContact O-CB 3.2Å; K621-C630 PolarHBondContact O-N 2.9Å; L623-C630 HydrophobicContact CD2-CB 4.12Å; C630-T632 PolarHBondContact SG-OG1 3.45Å; C630-H640 VanDerWaalsContact CB-CD2 3.48Å; C630-H640 WeakPolarHBondContact CB-CD2 3.43Å; C630-H640 PolarHBondContact SG-CD2 2.9Å; C630-H640 PolarHBondContact SG-NE2 3.19Å
631	K	77.1	Confident	74.9	Confident	175 Å²	175	84.2 Å²	84.2	76%	0.761	44%	0.435	S	S	*	.			trans	-135.5	0.1	179.1	-62	-177.9	-175.2	171.6	0	113.1
632	T	76.5	Confident	75	Confident	73 Å²	73	79.7 Å²	79.7	45%	0.448	42%	0.416	S	S	.	.	S	Bend	trans	-77.6	152.8	-178.2	57.7	0	0	0	0	111.8	C619 C630	C619-T632 VanDerWaalsContact CB-O 3.25Å; C619-T632 WeakPolarHBondContact CB-O 3.49Å; C619-T632 PolarHBondContact N-O 3.29Å; C630-T632 PolarHBondContact SG-OG1 3.45Å
633	L	76.7	Confident	74.9	Confident	109 Å²	109	77 Å²	77	57%	0.571	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-75.3	132.4	170.4	-60.3	174.7	0	0	0	109.3	I618 C635	I618-L633 HydrophobicContact CG1-CD2 3.71Å; L633-C635 PolarHBondContact O-N 2.89Å
634	C	72.6	Confident	74.9	Confident	17 Å²	17	80.7 Å²	80.7	12%	0.115	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	47.7	174.3	-157.9	0	0	0	0	116.7	C614 C615 R617 N636	C614-C634 HydrophobicContact CB-CB 4.38Å; C615-C634 WeakPolarHBondContact O-CB 3.35Å; R617-C634 PolarHBondContact O-N 3.08Å; R617-C634 VanDerWaalsContact O-N 3.07Å; C634-N636 PolarHBondContact O-N 3.28Å
635	C	70.9	Confident	75	Confident	23 Å²	23	81.9 Å²	81.9	16%	0.155	44%	0.437	C	S	.	.			trans	-43.4	120.8	175.6	61.2	0	0	0	0	113.9	C619 L633 D637	C619-C635 HydrophobicContact CB-CB 3.54Å; C619-C635 WeakPolarHBondContact CB-SG 3.35Å; C619-C635 WeakPolarHBondContact SG-CB 3.29Å; C619-C635 CovalentContact SG-SG 2.03Å; C619-C635 PolarHBondContact SG-SG 3.35Å; L633-C635 PolarHBondContact O-N 2.89Å; C635-D637 VanDerWaalsContact C-N 3.26Å
636	N	67.6	Low	75.3	Confident	112 Å²	112	81.9 Å²	81.9	60%	0.599	44%	0.437	S	S	*	.			trans	-78	-16.6	170.9	-159.8	20.4	0	0	0	111.7	C634 T638	C634-N636 PolarHBondContact O-N 3.28Å; N636-T638 PolarHBondContact O-N 3.04Å
637	D	61.9	Low	75.7	Confident	83 Å²	83	82 Å²	82	44%	0.444	44%	0.439	S	S	.	.			trans	-68.7	126.1	-167.2	-51	-68.1	0	0	0	113.7	K621 C635 H640	K621-D637 PolarHBondContact NZ-O 2.72Å; C635-D637 VanDerWaalsContact C-N 3.26Å; D637-H640 PolarHBondContact O-CE1 3.19Å; D637-H640 PolarHBondContact O-ND1 2.78Å
638	T	64.9	Low	75.9	Confident	131 Å²	131	78 Å²	78	80%	0.804	42%	0.423	S	S	*	.	S	Bend	trans	-75.5	-28.7	163.3	52.7	0	0	0	0	111.4	N636	N636-T638 PolarHBondContact O-N 3.04Å
639	M	65.8	Low	76.1	Confident	135 Å²	135	82.3 Å²	82.3	67%	0.665	44%	0.437	S	S	*	.	S	Bend	trans	-127	117.2	-177.6	-68.2	-93	75.6	0	0	110.4	I624	I624-M639 HydrophobicContact CD1-CB 4.44Å
640	H	73.6	Confident	76.2	Confident	13 Å²	13	75.8 Å²	75.8	6%	0.06	41%	0.409	C	S	.	.			trans	-106.2	97.6	-169.2	-87	69.5	0	0	0	112.3	C619 K621 L623 I624 C630 D637	C619-H640 PolarHBondContact SG-NE2 3.43Å; C619-H640 VanDerWaalsContact SG-NE2 3.4Å; K621-H640 VanDerWaalsContact CD-CE1 3.44Å; K621-H640 WeakPolarHBondContact CD-CE1 3.32Å; L623-H640 CarbonylContact C-O 3.49Å; L623-H640 WeakPolarHBondContact CA-O 2.99Å; L623-H640 HydrophobicContact CD2-CB 3.69Å; I624-H640 WeakPolarHBondContact CB-O 3.26Å; I624-H640 WeakPolarHBondContact CD1-O 3.26Å; I624-H640 VanDerWaalsContact CG1-O 3.23Å; I624-H640 WeakPolarHBondContact CG1-O 3.36Å; I624-H640 PolarHBondContact N-O 3.19Å; C630-H640 VanDerWaalsContact CB-CD2 3.48Å; C630-H640 WeakPolarHBondContact CB-CD2 3.43Å; C630-H640 PolarHBondContact SG-CD2 2.9Å; C630-H640 PolarHBondContact SG-NE2 3.19Å; D637-H640 PolarHBondContact O-CE1 3.19Å; D637-H640 PolarHBondContact O-ND1 2.78Å
641	S	75.9	Confident	76	Confident	94 Å²	94	79.5 Å²	79.5	66%	0.657	44%	0.435	S	S	*	.			trans	-73.3	161	179.1	53.7	0	0	0	0	113.4
642	C	80.5	Confident	76	Confident	10 Å²	10	71.9 Å²	71.9	7%	0.068	40%	0.404	C	S	.	.			trans	-113.8	124.9	-178.2	-177.7	0	0	0	0	111.5	L623 C625 H628 Q660	L623-C642 HydrophobicContact CB-CB 4.35Å; L623-C642 HydrophobicContact CD1-CB 4.46Å; C625-C642 HydrophobicContact CB-CB 3.83Å; H628-C642 PolarHBondContact ND1-SG 3.43Å; C642-Q660 PolarHBondContact O-NE2 3.41Å
643	P	79.6	Confident	75.9	Confident	95 Å²	95	74.8 Å²	74.8	62%	0.617	41%	0.412	S	S	*	.			trans	-84.4	-23.7	-179.1	32.7	-35.2	0	0	0	114.7
644	E	80.1	Confident	76	Confident	102 Å²	102	75.4 Å²	75.4	48%	0.477	42%	0.416	S	S	.	.	S	Bend	trans	-58.7	158.4	-175.2	-50.6	-60	159.8	0	0	113.8	H628 Q660 C661	H628-E644 WeakPolarHBondContact ND1-CG 2.99Å; E644-Q660 CarbonylContact O-C 3.28Å; E644-C661 HydrophobicContact CB-CB 4.25Å; E644-C661 WeakPolarHBondContact O-CB 3.33Å; E644-C661 PolarHBondContact O-N 3.19Å
645	I	80.6	Confident	76.3	Confident	116 Å²	116	77.1 Å²	77.1	60%	0.595	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-82.8	154	169.6	-62.6	171.7	0	0	0	110.3
646	C	84	Confident	77.1	Confident	13 Å²	13	82.4 Å²	82.4	9%	0.088	44%	0.439	C	S	.	.			trans	-79.3	-39.8	-173.1	-160.6	0	0	0	0	115	R648 C657 E659 H662	C646-R648 VanDerWaalsContact C-N 3.29Å; C646-R648 WeakPolarHBondContact O-CG 3.33Å; C646-R648 PolarHBondContact O-N 3.2Å; C646-R648 VanDerWaalsContact O-N 3.1Å; C646-R648 PolarHBondContact SG-NE 2.94Å; C646-R648 PolarHBondContact SG-NH2 3.35Å; C646-C657 HydrophobicContact CB-CB 4.39Å; C646-E659 WeakPolarHBondContact CB-O 3.37Å; C646-E659 PolarHBondContact N-O 3.24Å; C646-H662 PolarHBondContact SG-NE2 3.16Å
647	G	82.5	Confident	77.8	Confident	48 Å²	48	77.3 Å²	77.3	50%	0.495	41%	0.413	S	S	.	.			trans	67.9	6.7	165.8	0	0	0	0	0	118	C657	G647-C657 WeakPolarHBondContact CA-O 3.31Å; G647-C657 PolarHBondContact N-O 3.2Å
648	R	82.6	Confident	78.9	Confident	63 Å²	63	78 Å²	78	24%	0.238	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-86.4	152.5	-176.9	-40.2	-176.3	-152.5	158.6	21.5	111.9	C646 Y656 C657 H662 G664	C646-R648 VanDerWaalsContact C-N 3.29Å; C646-R648 WeakPolarHBondContact O-CG 3.33Å; C646-R648 PolarHBondContact O-N 3.2Å; C646-R648 VanDerWaalsContact O-N 3.1Å; C646-R648 PolarHBondContact SG-NE 2.94Å; C646-R648 PolarHBondContact SG-NH2 3.35Å; R648-Y656 CarbonylContact O-C 3.58Å; R648-Y656 WeakPolarHBondContact O-CA 3.5Å; R648-C657 WeakPolarHBondContact O-CB 3.25Å; R648-C657 PolarHBondContact O-N 3.14Å; R648-H662 PolarHBondContact NH2-O 3.24Å; R648-G664 PolarHBondContact NH1-O 3.34Å; R648-G664 PolarHBondContact NH2-O 3.1Å
649	R	83.6	Confident	79.6	Confident	153 Å²	153	75.3 Å²	75.3	58%	0.577	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-65.8	134.5	176.9	-157.9	170.7	-178.5	176.8	-3.1	110.8	Q653 H655 Y656	R649-Q653 PolarHBondContact NE-O 2.95Å; R649-Q653 PolarHBondContact NH2-O 3.16Å; R649-H655 CarbonylContact C-O 3.46Å; R649-H655 WeakPolarHBondContact CA-O 3.35Å; R649-Y656 HydrophobicContact CB-CD1 4.27Å; R649-Y656 HydrophobicContact CB-CE1 4.21Å; R649-Y656 HydrophobicContact CG-CE1 4.34Å
650	L	82.4	Confident	80.5	Confident	11 Å²	11	74.9 Å²	74.9	6%	0.058	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-80.9	169.1	-178.6	-57.5	-172.8	0	0	0	112.2	C652 Q653 H655 C657 C666 C669	L650-C652 VanDerWaalsContact C-N 3.26Å; L650-C652 PolarHBondContact O-N 2.89Å; L650-Q653 PolarHBondContact O-N 3.37Å; L650-H655 HydrophobicContact CD1-CB 4.11Å; L650-H655 HydrophobicContact CG-CB 4.49Å; L650-H655 PolarHBondContact N-O 3.32Å; L650-C657 HydrophobicContact CD2-CB 3.65Å; L650-C666 HydrophobicContact CD2-CB 3.6Å; L650-C669 HydrophobicContact CD1-CB 4.48Å
651	S	75.8	Confident	81	Confident	93 Å²	93	74.9 Å²	74.9	65%	0.65	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-29	-176.4	56.7	0	0	0	0	115.1	Q653	S651-Q653 PolarHBondContact O-N 2.88Å
652	C	77	Confident	81.1	Confident	15 Å²	15	72.5 Å²	72.5	10%	0.101	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.3	174.6	67.3	0	0	0	0	114	L650 L654 C669 C693	L650-C652 VanDerWaalsContact C-N 3.26Å; L650-C652 PolarHBondContact O-N 2.89Å; C652-L654 PolarHBondContact O-N 3.08Å; C652-L654 PolarHBondContact SG-N 3.35Å; C652-C669 HydrophobicContact CB-CB 3.71Å; C652-C669 VanDerWaalsContact SG-CB 3.54Å; C652-C693 VanDerWaalsContact CB-O 3.28Å; C652-C693 WeakPolarHBondContact CB-O 3.46Å
653	Q	76.1	Confident	81	Confident	134 Å²	134	75.5 Å²	75.5	63%	0.626	39%	0.389	S	S	*	.	S	Bend	trans	59.7	2	-175.1	-50.1	-172.9	46.4	0	0	115.9	R649 L650 S651	R649-Q653 PolarHBondContact NE-O 2.95Å; R649-Q653 PolarHBondContact NH2-O 3.16Å; L650-Q653 PolarHBondContact O-N 3.37Å; S651-Q653 PolarHBondContact O-N 2.88Å
654	L	77.4	Confident	80.8	Confident	123 Å²	123	71.3 Å²	71.3	64%	0.644	36%	0.363	S	S	*	.	S	Bend	trans	-104.9	-21.7	179	-62.8	177.2	0	0	0	114	C652	C652-L654 PolarHBondContact O-N 3.08Å; C652-L654 PolarHBondContact SG-N 3.35Å
655	H	80.4	Confident	80.8	Confident	53 Å²	53	69.5 Å²	69.5	25%	0.245	36%	0.36	C	S	.	.			trans	-122.5	168.1	-173.3	-60.1	130.4	0	0	0	113.1	R649 L650 C669	R649-H655 CarbonylContact C-O 3.46Å; R649-H655 WeakPolarHBondContact CA-O 3.35Å; L650-H655 HydrophobicContact CD1-CB 4.11Å; L650-H655 HydrophobicContact CG-CB 4.49Å; L650-H655 PolarHBondContact N-O 3.32Å; H655-C669 PolarHBondContact ND1-SG 2.9Å
656	Y	85.9	Confident	80.9	Confident	133 Å²	133	65.3 Å²	65.3	52%	0.522	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-119	162	-178.9	-64	-90.1	0	0	0	111.9	R648 R649	R648-Y656 CarbonylContact O-C 3.58Å; R648-Y656 WeakPolarHBondContact O-CA 3.5Å; R649-Y656 HydrophobicContact CB-CD1 4.27Å; R649-Y656 HydrophobicContact CB-CE1 4.21Å; R649-Y656 HydrophobicContact CG-CE1 4.34Å
657	C	84.2	Confident	80.4	Confident	5 Å²	5	69 Å²	69	3%	0.034	36%	0.359	C	S	.	.			trans	-87.4	115.1	-179	-174.5	0	0	0	0	111.8	C646 G647 R648 L650 C666	C646-C657 HydrophobicContact CB-CB 4.39Å; G647-C657 WeakPolarHBondContact CA-O 3.31Å; G647-C657 PolarHBondContact N-O 3.2Å; R648-C657 WeakPolarHBondContact O-CB 3.25Å; R648-C657 PolarHBondContact O-N 3.14Å; L650-C657 HydrophobicContact CD2-CB 3.65Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.31Å
658	E	84.3	Confident	80.2	Confident	98 Å²	98	71 Å²	71	46%	0.458	37%	0.366	S	S	.	.			trans	-94.5	3.6	-177.9	-66.7	158.2	-117.3	0	0	112.4	R671	E658-R671 IonicContact OE1-CZ 3.16Å; E658-R671 VanDerWaalsContact OE1-CZ 3.29Å; E658-R671 IonicContact OE1-NE 3.99Å; E658-R671 PolarHBondContact OE1-NE 3.27Å; E658-R671 IonicContact OE1-NH2 3.72Å; E658-R671 PolarHBondContact OE1-NH2 3.44Å; E658-R671 IonicContact OE2-CZ 3.69Å; E658-R671 IonicContact OE2-NE 3.62Å; E658-R671 IonicContact OE2-NH2 2.66Å; E658-R671 PolarHBondContact OE2-NH2 2.96Å
659	E	79.5	Confident	80.1	Confident	75 Å²	75	68.9 Å²	68.9	35%	0.35	36%	0.36	S	S	.	.	S	Bend	trans	-79	153.6	178.6	-63.1	173.9	-152.6	0	0	112.9	C646 H662 N667	C646-E659 WeakPolarHBondContact CB-O 3.37Å; C646-E659 PolarHBondContact N-O 3.24Å; E659-H662 IonicContact OE2-CD2 3.38Å; E659-N667 VanDerWaalsContact CD-ND2 3.33Å; E659-N667 PolarHBondContact OE1-ND2 3.25Å; E659-N667 PolarHBondContact OE2-ND2 3.45Å; E659-N667 VanDerWaalsContact OE2-ND2 3.13Å
660	Q	83.5	Confident	79.6	Confident	125 Å²	125	69.3 Å²	69.3	58%	0.584	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-56.8	147.4	170	-168.7	176.4	-4.4	0	0	111.2	C642 E644 H662	C642-Q660 PolarHBondContact O-NE2 3.41Å; E644-Q660 CarbonylContact O-C 3.28Å; Q660-H662 PolarHBondContact O-N 3.47Å
661	C	84.4	Confident	79	Confident	14 Å²	14	74.3 Å²	74.3	10%	0.095	38%	0.38	C	S	.	.			trans	-64.3	89.5	-163.8	-167.1	0	0	0	0	113.7	C625 E644	C625-C661 HydrophobicContact CB-CB 4.41Å; C625-C661 WeakPolarHBondContact CB-O 3.44Å; E644-C661 HydrophobicContact CB-CB 4.25Å; E644-C661 WeakPolarHBondContact O-CB 3.33Å; E644-C661 PolarHBondContact O-N 3.19Å
662	H	78.7	Confident	78.5	Confident	44 Å²	44	71.4 Å²	71.4	20%	0.204	37%	0.365	C	S	.	.			trans	-81.5	149.1	179.9	60.4	81.8	0	0	0	112.8	C646 R648 E659 Q660 G664 P665 C666	C646-H662 PolarHBondContact SG-NE2 3.16Å; R648-H662 PolarHBondContact NH2-O 3.24Å; E659-H662 IonicContact OE2-CD2 3.38Å; Q660-H662 PolarHBondContact O-N 3.47Å; H662-G664 VanDerWaalsContact C-N 3.33Å; H662-G664 PolarHBondContact CE1-O 3.31Å; H662-G664 PolarHBondContact ND1-N 2.84Å; H662-G664 PolarHBondContact ND1-O 3Å; H662-G664 PolarHBondContact O-N 3.38Å; H662-G664 VanDerWaalsContact O-N 3.07Å; H662-P665 VanDerWaalsContact CE1-C 3.47Å; H662-P665 PolarHBondContact CE1-O 2.77Å; H662-P665 PolarHBondContact ND1-O 2.94Å; H662-C666 VanDerWaalsContact CE1-SG 3.58Å; H662-C666 PolarHBondContact NE2-SG 2.57Å; H662-C666 VanDerWaalsContact NE2-SG 3.37Å
663	S	78.9	Confident	78.4	Confident	73 Å²	73	73.6 Å²	73.6	51%	0.51	38%	0.378	S	S	.	.	S	Bend	trans	-78.1	79.8	166.3	55.5	0	0	0	0	110.2	S283	S283-S663 WeakPolarHBondContact CB-O 3.44Å
664	G	74.5	Confident	78.6	Confident	6 Å²	6	69.3 Å²	69.3	6%	0.062	36%	0.359	C	S	.	.	S	Bend	trans	-173.2	173.9	178	0	0	0	0	0	113.5	S283 R648 H662	S283-G664 WeakPolarHBondContact O-CA 3.25Å; S283-G664 WeakPolarHBondContact OG-CA 3.4Å; R648-G664 PolarHBondContact NH1-O 3.34Å; R648-G664 PolarHBondContact NH2-O 3.1Å; H662-G664 VanDerWaalsContact C-N 3.33Å; H662-G664 PolarHBondContact CE1-O 3.31Å; H662-G664 PolarHBondContact ND1-N 2.84Å; H662-G664 PolarHBondContact ND1-O 3Å; H662-G664 PolarHBondContact O-N 3.38Å; H662-G664 VanDerWaalsContact O-N 3.07Å
665	P	80.9	Confident	78.9	Confident	64 Å²	64	72.2 Å²	72.2	42%	0.416	36%	0.362	S	S	.	.	S	Bend	trans	-62.5	162	147.5	34.9	-37.5	0	0	0	109.1	S283 H662	S283-P665 VanDerWaalsContact N-CD 3.26Å; S283-P665 WeakPolarHBondContact O-CD 3.48Å; H662-P665 VanDerWaalsContact CE1-C 3.47Å; H662-P665 PolarHBondContact CE1-O 2.77Å; H662-P665 PolarHBondContact ND1-O 2.94Å
666	C	82.3	Confident	79.1	Confident	28 Å²	28	73 Å²	73	19%	0.189	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-82.1	157.7	-179.4	-58.5	0	0	0	0	111	L650 C657 H662	L650-C666 HydrophobicContact CD2-CB 3.6Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.31Å; H662-C666 VanDerWaalsContact CE1-SG 3.58Å; H662-C666 PolarHBondContact NE2-SG 2.57Å; H662-C666 VanDerWaalsContact NE2-SG 3.37Å
667	N	73.5	Confident	79	Confident	90 Å²	90	71.4 Å²	71.4	48%	0.481	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62.9	170.6	176.2	-71.9	-45.5	0	0	0	112.4	E659	E659-N667 VanDerWaalsContact CD-ND2 3.33Å; E659-N667 PolarHBondContact OE1-ND2 3.25Å; E659-N667 PolarHBondContact OE2-ND2 3.45Å; E659-N667 VanDerWaalsContact OE2-ND2 3.13Å
668	S	77.5	Confident	79.1	Confident	92 Å²	92	72.6 Å²	72.6	64%	0.643	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-64.3	165	176.4	53.4	0	0	0	0	112.3	W670	S668-W670 PolarHBondContact O-N 2.99Å
669	C	81.3	Confident	79.3	Confident	17 Å²	17	70.9 Å²	70.9	12%	0.115	37%	0.373	C	S	.	.			trans	-67.1	99.5	178.9	178.2	0	0	0	0	112.3	L650 C652 H655 R671 C693	L650-C669 HydrophobicContact CD1-CB 4.48Å; C652-C669 HydrophobicContact CB-CB 3.71Å; C652-C669 VanDerWaalsContact SG-CB 3.54Å; H655-C669 PolarHBondContact ND1-SG 2.9Å; C669-R671 PolarHBondContact O-N 3.2Å; C669-C693 HydrophobicContact CB-CB 4.35Å; C669-C693 VanDerWaalsContact SG-SG 3.67Å
670	W	73.6	Confident	79.7	Confident	162 Å²	162	67.7 Å²	67.7	61%	0.614	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.2	172	65.5	-94.2	0	0	0	113.5	S668 G672	S668-W670 PolarHBondContact O-N 2.99Å; W670-G672 PolarHBondContact O-N 3.26Å
671	R	69.4	Low	79.8	Confident	116 Å²	116	69.6 Å²	69.6	44%	0.438	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	19.2	-174.4	-72.2	-176.8	168.8	-84.4	-3.2	116	E658 C669	E658-R671 IonicContact OE1-CZ 3.16Å; E658-R671 VanDerWaalsContact OE1-CZ 3.29Å; E658-R671 IonicContact OE1-NE 3.99Å; E658-R671 PolarHBondContact OE1-NE 3.27Å; E658-R671 IonicContact OE1-NH2 3.72Å; E658-R671 PolarHBondContact OE1-NH2 3.44Å; E658-R671 IonicContact OE2-CZ 3.69Å; E658-R671 IonicContact OE2-NE 3.62Å; E658-R671 IonicContact OE2-NH2 2.66Å; E658-R671 PolarHBondContact OE2-NH2 2.96Å; C669-R671 PolarHBondContact O-N 3.2Å
672	G	64.7	Low	79.7	Confident	32 Å²	32	70.4 Å²	70.4	33%	0.33	37%	0.366	S	S	.	.			trans	163.3	155.2	165.9	0	0	0	0	0	118.9	W670 C693	W670-G672 PolarHBondContact O-N 3.26Å; G672-C693 VanDerWaalsContact O-CB 3.29Å; G672-C693 WeakPolarHBondContact O-CB 3.45Å; G672-C693 PolarHBondContact O-N 3.06Å
673	V	75.8	Confident	79.9	Confident	62 Å²	62	70.2 Å²	70.2	38%	0.376	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.3	162.4	166.8	0	0	0	0	106.8	Y675 P690 Q691	V673-Y675 HydrophobicContact CB-CD2 4.41Å; V673-Y675 HydrophobicContact CB-CE2 3.76Å; V673-Y675 HydrophobicContact CG1-CD1 4.37Å; V673-Y675 HydrophobicContact CG1-CD2 4.23Å; V673-Y675 HydrophobicContact CG1-CE1 4.02Å; V673-Y675 HydrophobicContact CG1-CE2 3.87Å; V673-Y675 HydrophobicContact CG1-CG 4.48Å; V673-Y675 WeakPolarHBondContact O-CD2 3.48Å; V673-Y675 WeakPolarHBondContact O-CE2 3.45Å; V673-P690 HydrophobicContact CG1-CB 3.45Å; V673-P690 VanDerWaalsContact CG1-CB 3.45Å; V673-Q691 CarbonylContact C-O 3.57Å; V673-Q691 WeakPolarHBondContact CA-O 3.41Å
674	I	80	Confident	80.1	Confident	43 Å²	43	72.2 Å²	72.2	22%	0.221	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.1	173.1	-58.6	168.8	0	0	0	107.4	S676 L678 Q691 P692	I674-S676 WeakPolarHBondContact CG2-OG 3.33Å; I674-L678 HydrophobicContact CG2-CD2 4.28Å; I674-Q691 HydrophobicContact CB-CB 4.09Å; I674-Q691 PolarHBondContact N-O 3.2Å; I674-Q691 PolarHBondContact O-N 2.84Å; I674-P692 WeakPolarHBondContact CD1-O 3.34Å
675	Y	83.9	Confident	80.7	Confident	184 Å²	184	74.1 Å²	74.1	72%	0.722	39%	0.392	S	S	*	.			trans	-101.1	3.6	-178.4	-67.6	-85	0	0	0	113.8	V673 P689	V673-Y675 HydrophobicContact CB-CD2 4.41Å; V673-Y675 HydrophobicContact CB-CE2 3.76Å; V673-Y675 HydrophobicContact CG1-CD1 4.37Å; V673-Y675 HydrophobicContact CG1-CD2 4.23Å; V673-Y675 HydrophobicContact CG1-CE1 4.02Å; V673-Y675 HydrophobicContact CG1-CE2 3.87Å; V673-Y675 HydrophobicContact CG1-CG 4.48Å; V673-Y675 WeakPolarHBondContact O-CD2 3.48Å; V673-Y675 WeakPolarHBondContact O-CE2 3.45Å; Y675-P689 VanDerWaalsContact C-CG 3.46Å; Y675-P689 WeakPolarHBondContact O-CG 3.38Å
676	S	83.4	Confident	81	Confident	69 Å²	69	74.3 Å²	74.3	48%	0.483	39%	0.389	S	S	.	.	S	Bend	trans	-98.2	147.8	172.8	56.6	0	0	0	0	111.4	I674	I674-S676 WeakPolarHBondContact CG2-OG 3.33Å
677	E	85.9	Confident	81.1	Confident	101 Å²	101	75.7 Å²	75.7	47%	0.472	39%	0.394	S	S	.	.			trans	-63.2	140.1	170.3	-63.2	-170.4	139.4	0	0	111.5	V679 I686 L687 H688 P689	E677-V679 HydrophobicContact CB-CG2 4.44Å; E677-I686 HydrophobicContact CB-CG2 3.91Å; E677-I686 HydrophobicContact CG-CG2 4.25Å; E677-L687 WeakPolarHBondContact CA-O 3.4Å; E677-H688 IonicContact OE1-CE1 3.29Å; E677-H688 PolarHBondContact OE1-CE1 3.44Å; E677-H688 IonicContact OE1-CG 2.72Å; E677-H688 IonicContact OE1-ND1 3.16Å; E677-H688 PolarHBondContact OE1-ND1 3.15Å; E677-P689 HydrophobicContact CG-CG 4.45Å
678	L	85.4	Confident	81.7	Confident	29 Å²	29	76.8 Å²	76.8	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.5	174.7	-55	174.5	0	0	0	109	I674 I686 L687 Q691 A697 P698	I674-L678 HydrophobicContact CG2-CD2 4.28Å; L678-I686 CarbonylContact O-C 3.47Å; L678-I686 WeakPolarHBondContact O-CA 3.37Å; L678-L687 HydrophobicContact CB-CB 4.24Å; L678-L687 PolarHBondContact N-O 2.64Å; L678-L687 PolarHBondContact O-N 3.26Å; L678-Q691 HydrophobicContact CD1-CB 4.38Å; L678-Q691 HydrophobicContact CD1-CG 4.23Å; L678-A697 HydrophobicContact CB-CB 4.46Å; L678-P698 WeakPolarHBondContact O-CD 3.42Å
679	V	88.5	Confident	82	Confident	63 Å²	63	74.8 Å²	74.8	38%	0.382	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.1	-169.6	-172.4	0	0	0	0	110.9	E677 T685 I686	E677-V679 HydrophobicContact CB-CG2 4.44Å; V679-T685 CarbonylContact C-O 3.42Å; V679-T685 WeakPolarHBondContact CA-O 3.38Å; V679-I686 HydrophobicContact CG1-CG1 4.2Å; V679-I686 HydrophobicContact CG2-CG1 4.2Å; V679-I686 HydrophobicContact CG2-CG2 4.3Å
680	C	88.5	Confident	82.2	Confident	8 Å²	8	78.5 Å²	78.5	5%	0.054	41%	0.405	C	S	.	.			trans	-64.7	157.6	172.5	74.2	0	0	0	0	112.3	C682 G683 N684 T685 C700 M720	C680-C682 HydrophobicContact CB-CB 4.48Å; C680-C682 WeakPolarHBondContact CB-SG 3.42Å; C680-C682 PolarHBondContact O-N 2.96Å; C680-C682 WeakPolarHBondContact SG-CA 3.49Å; C680-C682 WeakPolarHBondContact SG-CB 3.26Å; C680-C682 PolarHBondContact SG-N 3.1Å; C680-C682 CovalentContact SG-SG 2.05Å; C680-C682 PolarHBondContact SG-SG 3.37Å; C680-G683 PolarHBondContact O-N 2.89Å; C680-G683 VanDerWaalsContact SG-C 3.57Å; C680-G683 PolarHBondContact SG-N 3.29Å; C680-N684 PolarHBondContact SG-N 2.92Å; C680-T685 PolarHBondContact N-O 3.38Å; C680-T685 PolarHBondContact SG-N 2.65Å; C680-C700 HydrophobicContact CB-CB 3.92Å; C680-M720 HydrophobicContact CB-CE 4.35Å
681	R	84	Confident	82.6	Confident	165 Å²	165	72.7 Å²	72.7	62%	0.623	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-21.2	170.9	-170.4	64.1	-177.5	-154.3	4.7	113.3	H719 M720	R681-H719 WeakPolarHBondContact CB-O 3.39Å; R681-M720 HydrophobicContact CB-SD 4.26Å
682	C	83	Confident	83	Confident	30 Å²	30	70.9 Å²	70.9	20%	0.203	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.6	177.2	45.2	0	0	0	0	117	C680 N684 C700 C718	C680-C682 HydrophobicContact CB-CB 4.48Å; C680-C682 WeakPolarHBondContact CB-SG 3.42Å; C680-C682 PolarHBondContact O-N 2.96Å; C680-C682 WeakPolarHBondContact SG-CA 3.49Å; C680-C682 WeakPolarHBondContact SG-CB 3.26Å; C680-C682 PolarHBondContact SG-N 3.1Å; C680-C682 CovalentContact SG-SG 2.05Å; C680-C682 PolarHBondContact SG-SG 3.37Å; C682-N684 PolarHBondContact O-N 2.81Å; C682-N684 PolarHBondContact O-OD1 3.29Å; C682-C700 WeakPolarHBondContact SG-CB 3.38Å; C682-C700 PolarHBondContact SG-SG 3.19Å; C682-C718 HydrophobicContact CB-CB 4.26Å; C682-C718 VanDerWaalsContact CB-SG 3.6Å; C682-C718 PolarHBondContact SG-SG 3.35Å
683	G	83.3	Confident	83.9	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	74.5	-39.6	-167.5	0	0	0	0	0	115.4	C680 T685	C680-G683 PolarHBondContact O-N 2.89Å; C680-G683 VanDerWaalsContact SG-C 3.57Å; C680-G683 PolarHBondContact SG-N 3.29Å; G683-T685 PolarHBondContact O-N 2.81Å
684	N	83.6	Confident	83.9	Confident	115 Å²	115	70.3 Å²	70.3	62%	0.615	39%	0.39	S	S	*	.	S	Bend	trans	-65	4.2	-170.2	-70.2	11.3	0	0	0	117.9	C680 C682 Q702	C680-N684 PolarHBondContact SG-N 2.92Å; C682-N684 PolarHBondContact O-N 2.81Å; C682-N684 PolarHBondContact O-OD1 3.29Å; N684-Q702 HydrophobicContact CB-CG 4.27Å
685	T	85.4	Confident	83.9	Confident	46 Å²	46	70 Å²	70	28%	0.282	39%	0.391	S	S	.	.			trans	-150.6	132.6	178.4	-55.1	0	0	0	0	110.6	V679 C680 G683 P698 C700	V679-T685 CarbonylContact C-O 3.42Å; V679-T685 WeakPolarHBondContact CA-O 3.38Å; C680-T685 PolarHBondContact N-O 3.38Å; C680-T685 PolarHBondContact SG-N 2.65Å; G683-T685 PolarHBondContact O-N 2.81Å; T685-P698 HydrophobicContact CG2-CB 3.82Å; T685-P698 HydrophobicContact CG2-CG 3.83Å; T685-C700 PolarHBondContact OG1-SG 2.8Å
686	I	88.5	Confident	83.8	Confident	68 Å²	68	65.8 Å²	65.8	35%	0.349	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.5	-168.2	-53.4	179.1	0	0	0	109.5	E677 L678 V679	E677-I686 HydrophobicContact CB-CG2 3.91Å; E677-I686 HydrophobicContact CG-CG2 4.25Å; L678-I686 CarbonylContact O-C 3.47Å; L678-I686 WeakPolarHBondContact O-CA 3.37Å; V679-I686 HydrophobicContact CG1-CG1 4.2Å; V679-I686 HydrophobicContact CG2-CG1 4.2Å; V679-I686 HydrophobicContact CG2-CG2 4.3Å
687	L	84.8	Confident	83.7	Confident	56 Å²	56	64 Å²	64	29%	0.293	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.7	160.7	-61.5	172.8	0	0	0	108.6	E677 L678 Q691 P698	E677-L687 WeakPolarHBondContact CA-O 3.4Å; L678-L687 HydrophobicContact CB-CB 4.24Å; L678-L687 PolarHBondContact N-O 2.64Å; L678-L687 PolarHBondContact O-N 3.26Å; L687-Q691 HydrophobicContact CB-CG 4.38Å; L687-P698 HydrophobicContact CD1-CB 4.17Å; L687-P698 HydrophobicContact CD1-CG 4.47Å; L687-P698 HydrophobicContact CD2-CB 4.24Å; L687-P698 HydrophobicContact CG-CB 3.84Å; L687-P698 HydrophobicContact CG-CG 3.95Å
688	H	84.5	Confident	83.5	Confident	113 Å²	113	60 Å²	60	52%	0.523	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74.3	151	175.9	-54.6	-72.8	0	0	0	111.3	E677 Q691	E677-H688 IonicContact OE1-CE1 3.29Å; E677-H688 PolarHBondContact OE1-CE1 3.44Å; E677-H688 IonicContact OE1-CG 2.72Å; E677-H688 IonicContact OE1-ND1 3.16Å; E677-H688 PolarHBondContact OE1-ND1 3.15Å; H688-Q691 PolarHBondContact O-NE2 3.13Å
689	P	84.7	Confident	83.4	Confident	50 Å²	50	67.1 Å²	67.1	33%	0.325	39%	0.393	S	S	.	.	S	Bend	trans	-56.9	156.2	168.9	-27.2	34.7	0	0	0	113.4	Y675 E677	Y675-P689 VanDerWaalsContact C-CG 3.46Å; Y675-P689 WeakPolarHBondContact O-CG 3.38Å; E677-P689 HydrophobicContact CG-CG 4.45Å
690	P	85.4	Confident	83.3	Confident	96 Å²	96	64.3 Å²	64.3	62%	0.623	38%	0.377	S	S	*	.	P	Polyproline II helix	cis	-85.3	136.6	-4.2	31.6	-32.3	0	0	0	112.9	V673	V673-P690 HydrophobicContact CG1-CB 3.45Å; V673-P690 VanDerWaalsContact CG1-CB 3.45Å
691	Q	81	Confident	83.1	Confident	39 Å²	39	71.1 Å²	71.1	18%	0.182	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.3	176.2	-66.6	-62.9	-37.3	0	0	111.4	V673 I674 L678 L687 H688 S695	V673-Q691 CarbonylContact C-O 3.57Å; V673-Q691 WeakPolarHBondContact CA-O 3.41Å; I674-Q691 HydrophobicContact CB-CB 4.09Å; I674-Q691 PolarHBondContact N-O 3.2Å; I674-Q691 PolarHBondContact O-N 2.84Å; L678-Q691 HydrophobicContact CD1-CB 4.38Å; L678-Q691 HydrophobicContact CD1-CG 4.23Å; L687-Q691 HydrophobicContact CB-CG 4.38Å; H688-Q691 PolarHBondContact O-NE2 3.13Å; Q691-S695 PolarHBondContact OE1-OG 2.83Å
692	P	79.3	Confident	83	Confident	79 Å²	79	67.9 Å²	67.9	51%	0.513	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	152.4	178.6	26.8	-34.9	0	0	0	113.1	I674 G694 S695	I674-P692 WeakPolarHBondContact CD1-O 3.34Å; P692-G694 PolarHBondContact O-N 2.76Å; P692-S695 VanDerWaalsContact CD-OG 3.31Å; P692-S695 WeakPolarHBondContact CD-OG 3.28Å; P692-S695 WeakPolarHBondContact CG-OG 3.27Å; P692-S695 PolarHBondContact O-N 3.33Å
693	C	82	Confident	83	Confident	28 Å²	28	70.4 Å²	70.4	19%	0.189	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	111.1	173	179.5	0	0	0	0	111.2	C652 C669 G672	C652-C693 VanDerWaalsContact CB-O 3.28Å; C652-C693 WeakPolarHBondContact CB-O 3.46Å; C669-C693 HydrophobicContact CB-CB 4.35Å; C669-C693 VanDerWaalsContact SG-SG 3.67Å; G672-C693 VanDerWaalsContact O-CB 3.29Å; G672-C693 WeakPolarHBondContact O-CB 3.45Å; G672-C693 PolarHBondContact O-N 3.06Å
694	G	76.3	Confident	83.2	Confident	54 Å²	54	69 Å²	69	56%	0.557	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.7	-1.8	-177.6	0	0	0	0	0	115.5	P692 S696	P692-G694 PolarHBondContact O-N 2.76Å; G694-S696 PolarHBondContact O-N 2.9Å
695	S	81	Confident	83.1	Confident	35 Å²	35	67.9 Å²	67.9	25%	0.245	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-59.3	129.9	169.3	-76.7	0	0	0	0	111.5	Q691 P692	Q691-S695 PolarHBondContact OE1-OG 2.83Å; P692-S695 VanDerWaalsContact CD-OG 3.31Å; P692-S695 WeakPolarHBondContact CD-OG 3.28Å; P692-S695 WeakPolarHBondContact CG-OG 3.27Å; P692-S695 PolarHBondContact O-N 3.33Å
696	S	81.5	Confident	83	Confident	97 Å²	97	68 Å²	68	68%	0.678	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-83.1	166.1	167	54.8	0	0	0	0	111.5	G694	G694-S696 PolarHBondContact O-N 2.9Å
697	A	80.5	Confident	82.6	Confident	32 Å²	32	71.2 Å²	71.2	26%	0.264	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-63.8	153.1	170.3	0	0	0	0	0	111.9	L678 M720	L678-A697 HydrophobicContact CB-CB 4.46Å; A697-M720 HydrophobicContact CB-CE 3.51Å; A697-M720 HydrophobicContact CB-SD 4.08Å
698	P	83	Confident	82.1	Confident	15 Å²	15	72.4 Å²	72.4	10%	0.097	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-72.1	146.2	-172.9	27	-33.8	0	0	0	113.6	L678 T685 L687 M720	L678-P698 WeakPolarHBondContact O-CD 3.42Å; T685-P698 HydrophobicContact CG2-CB 3.82Å; T685-P698 HydrophobicContact CG2-CG 3.83Å; L687-P698 HydrophobicContact CD1-CB 4.17Å; L687-P698 HydrophobicContact CD1-CG 4.47Å; L687-P698 HydrophobicContact CD2-CB 4.24Å; L687-P698 HydrophobicContact CG-CB 3.84Å; L687-P698 HydrophobicContact CG-CG 3.95Å; P698-M720 WeakPolarHBondContact O-CE 3.44Å
699	E	82.8	Confident	81.6	Confident	179 Å²	179	75.1 Å²	75.1	84%	0.836	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-62.7	140.4	164.1	-62.2	177.3	-175.8	0	0	110.1
700	C	85.7	Confident	81.4	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.034	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.4	179.8	-179	0	0	0	0	112	C680 C682 T685 Q702 T717 C718	C680-C700 HydrophobicContact CB-CB 3.92Å; C682-C700 WeakPolarHBondContact SG-CB 3.38Å; C682-C700 PolarHBondContact SG-SG 3.19Å; T685-C700 PolarHBondContact OG1-SG 2.8Å; C700-Q702 PolarHBondContact O-N 3.28Å; C700-T717 WeakPolarHBondContact O-CB 3.46Å; C700-C718 HydrophobicContact CB-CB 4.18Å; C700-C718 PolarHBondContact O-N 3.46Å
701	N	85.2	Confident	81	Confident	150 Å²	150	76.7 Å²	76.7	80%	0.802	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	3.4	-175.5	-63.1	-28.3	0	0	0	114.8
702	Q	81.5	Confident	80.9	Confident	98 Å²	98	76.3 Å²	76.3	46%	0.458	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.4	175.2	-64.7	-64.1	-23.8	0	0	110.8	N684 C700 T717 C718	N684-Q702 HydrophobicContact CB-CG 4.27Å; C700-Q702 PolarHBondContact O-N 3.28Å; Q702-T717 CarbonylContact O-C 3.54Å; Q702-T717 WeakPolarHBondContact O-CA 3.46Å; Q702-C718 PolarHBondContact O-N 2.87Å
703	P	83.5	Confident	81	Confident	82 Å²	82	77.3 Å²	77.3	53%	0.532	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	145.5	173.4	26.9	-34.6	0	0	0	110.8
704	C	86.1	Confident	81	Confident	11 Å²	11	77.7 Å²	77.7	7%	0.074	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-66.9	136.3	-177.9	-165.6	0	0	0	0	112.3	V714 H716 H719	C704-V714 HydrophobicContact CB-CG1 4.28Å; C704-H716 VanDerWaalsContact CB-CD2 3.49Å; C704-H716 WeakPolarHBondContact CB-CD2 3.34Å; C704-H716 VanDerWaalsContact CB-NE2 3.31Å; C704-H716 WeakPolarHBondContact CB-NE2 3.27Å; C704-H716 PolarHBondContact N-O 3.23Å; C704-H719 PolarHBondContact SG-NE2 2.83Å
705	S	83.2	Confident	81.2	Confident	93 Å²	93	83.1 Å²	83.1	65%	0.65	47%	0.465	S	S	*	.			trans	-95.4	6.4	-178.2	54.1	0	0	0	0	114.5
706	L	81.8	Confident	81.2	Confident	48 Å²	48	83.5 Å²	83.5	25%	0.251	46%	0.463	S	S	.	.	S	Bend	trans	-77.7	148.4	174.2	-68	173.4	0	0	0	111.1
707	T	81.3	Confident	81.4	Confident	136 Å²	136	82.5 Å²	82.5	83%	0.834	45%	0.453	S	S	*	.			trans	-64.5	137.8	174.5	44.3	0	0	0	0	111.3
708	H	73.4	Confident	81.7	Confident	81 Å²	81	81.4 Å²	81.4	38%	0.375	44%	0.443	S	S	.	.			trans	-126.4	139.7	-172.9	54.3	85.2	0	0	0	112.3	C710 V714	H708-C710 PolarHBondContact CE1-O 3.17Å; H708-C710 PolarHBondContact ND1-O 3.3Å; H708-C710 PolarHBondContact ND1-SG 3.22Å; H708-C710 PolarHBondContact O-N 3.36Å; H708-C710 VanDerWaalsContact O-N 3.1Å; H708-V714 WeakPolarHBondContact CD2-CG2 3.43Å; H708-V714 WeakPolarHBondContact NE2-CG2 3.19Å
709	N	74.6	Confident	81.8	Confident	170 Å²	170	82 Å²	82	91%	0.909	44%	0.444	S	S	*	.	S	Bend	trans	-84.2	32.4	-177.1	-61.1	21.7	0	0	0	113.1
710	C	79.4	Confident	81.8	Confident	16 Å²	16	77 Å²	77	11%	0.108	42%	0.422	C	S	.	.	S	Bend	trans	-139.4	131.8	-174	58.7	0	0	0	0	111.9	H708 H712	H708-C710 PolarHBondContact CE1-O 3.17Å; H708-C710 PolarHBondContact ND1-O 3.3Å; H708-C710 PolarHBondContact ND1-SG 3.22Å; H708-C710 PolarHBondContact O-N 3.36Å; H708-C710 VanDerWaalsContact O-N 3.1Å; C710-H712 PolarHBondContact O-N 3.04Å; C710-H712 PolarHBondContact SG-CE1 3.32Å
711	D	78.4	Confident	81.6	Confident	163 Å²	163	82.4 Å²	82.4	87%	0.872	45%	0.446	S	S	*	.	S	Bend	trans	-80.2	26.3	-169.2	-45.6	-67.8	0	0	0	114.5
712	H	79	Confident	81.4	Confident	31 Å²	31	80.8 Å²	80.8	14%	0.144	44%	0.444	C	S	.	.	S	Bend	trans	-133.2	158.4	-178.1	67.4	57.2	0	0	0	110.4	C710 C727	C710-H712 PolarHBondContact O-N 3.04Å; C710-H712 PolarHBondContact SG-CE1 3.32Å; H712-C727 PolarHBondContact CE1-SG 2.78Å; H712-C727 PolarHBondContact NE2-SG 2.68Å
713	P	81.2	Confident	81.4	Confident	100 Å²	100	84.4 Å²	84.4	65%	0.649	46%	0.458	S	S	*	.			trans	-58.4	147.9	179.6	21.7	-34.1	0	0	0	113.6
714	V	82.2	Confident	81.4	Confident	36 Å²	36	82.3 Å²	82.3	22%	0.218	45%	0.446	C	S	.	.			trans	-67.7	127	178	178.5	0	0	0	0	110.4	C704 H708	C704-V714 HydrophobicContact CB-CG1 4.28Å; H708-V714 WeakPolarHBondContact CD2-CG2 3.43Å; H708-V714 WeakPolarHBondContact NE2-CG2 3.19Å
715	K	79.9	Confident	81.3	Confident	167 Å²	167	84.7 Å²	84.7	73%	0.726	46%	0.461	S	S	*	.			trans	-114.8	9	177.3	-58.7	-166.4	-176.8	-175.7	0	114.3	V729	K715-V729 HydrophobicContact CD-CG2 4.07Å; K715-V729 HydrophobicContact CG-CG2 4.44Å
716	H	81	Confident	81.2	Confident	43 Å²	43	84.8 Å²	84.8	20%	0.199	46%	0.459	C	S	.	.	S	Bend	trans	-111.4	147.7	176.7	65	-97.6	0	0	0	111.3	C704 H719 P725	C704-H716 VanDerWaalsContact CB-CD2 3.49Å; C704-H716 WeakPolarHBondContact CB-CD2 3.34Å; C704-H716 VanDerWaalsContact CB-NE2 3.31Å; C704-H716 WeakPolarHBondContact CB-NE2 3.27Å; C704-H716 PolarHBondContact N-O 3.23Å; H716-H719 AromaticContact CD2-CD2 3.83Å; H716-H719 AromaticContact NE2-NE2 3.82Å; H716-P725 HydrophobicContact CB-CG 4.06Å
717	T	86.2	Confident	81.3	Confident	77 Å²	77	83.9 Å²	83.9	47%	0.472	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	164.1	178.4	44.5	0	0	0	0	112.1	C700 Q702 H719	C700-T717 WeakPolarHBondContact O-CB 3.46Å; Q702-T717 CarbonylContact O-C 3.54Å; Q702-T717 WeakPolarHBondContact O-CA 3.46Å; T717-H719 PolarHBondContact O-N 3.07Å
718	C	87.3	Confident	81.3	Confident	8 Å²	8	82.5 Å²	82.5	5%	0.054	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.6	177.2	-176.4	0	0	0	0	111.3	C682 C700 Q702	C682-C718 HydrophobicContact CB-CB 4.26Å; C682-C718 VanDerWaalsContact CB-SG 3.6Å; C682-C718 PolarHBondContact SG-SG 3.35Å; C700-C718 HydrophobicContact CB-CB 4.18Å; C700-C718 PolarHBondContact O-N 3.46Å; Q702-C718 PolarHBondContact O-N 2.87Å
719	H	84.9	Confident	81.7	Confident	27 Å²	27	80 Å²	80	13%	0.125	44%	0.438	C	S	.	.			trans	-128	172	-176.6	61	83.3	0	0	0	110.3	R681 C704 H716 T717 E721 K723	R681-H719 WeakPolarHBondContact CB-O 3.39Å; C704-H719 PolarHBondContact SG-NE2 2.83Å; H716-H719 AromaticContact CD2-CD2 3.83Å; H716-H719 AromaticContact NE2-NE2 3.82Å; T717-H719 PolarHBondContact O-N 3.07Å; H719-E721 PolarHBondContact CE1-O 2.67Å; H719-E721 IonicContact CG-OE2 2.71Å; H719-E721 PolarHBondContact ND1-N 3.05Å; H719-E721 PolarHBondContact ND1-O 2.92Å; H719-E721 VanDerWaalsContact ND1-O 3.14Å; H719-E721 IonicContact ND1-OE2 2.74Å; H719-K723 PolarHBondContact CE1-O 3.14Å; H719-K723 VanDerWaalsContact CE1-O 3.3Å
720	M	82.6	Confident	82.1	Confident	75 Å²	75	77.3 Å²	77.3	37%	0.369	42%	0.423	S	S	.	.	S	Bend	trans	-97.7	-21.2	-174.5	-57.2	-62.6	171.9	0	0	112.9	C680 R681 A697 P698	C680-M720 HydrophobicContact CB-CE 4.35Å; R681-M720 HydrophobicContact CB-SD 4.26Å; A697-M720 HydrophobicContact CB-CE 3.51Å; A697-M720 HydrophobicContact CB-SD 4.08Å; P698-M720 WeakPolarHBondContact O-CE 3.44Å
721	E	80.7	Confident	82.2	Confident	118 Å²	118	79.7 Å²	79.7	55%	0.551	43%	0.433	S	S	*	.	S	Bend	trans	-63.2	142.5	-178	-69.7	63.3	-147	0	0	111.3	H719 K723	H719-E721 PolarHBondContact CE1-O 2.67Å; H719-E721 IonicContact CG-OE2 2.71Å; H719-E721 PolarHBondContact ND1-N 3.05Å; H719-E721 PolarHBondContact ND1-O 2.92Å; H719-E721 VanDerWaalsContact ND1-O 3.14Å; H719-E721 IonicContact ND1-OE2 2.74Å; E721-K723 PolarHBondContact O-N 3.46Å
722	P	81.7	Confident	82.6	Confident	117 Å²	117	76.5 Å²	76.5	76%	0.76	42%	0.416	S	S	*	.	S	Bend	trans	-73.3	5.5	-178.9	32.1	-37.7	0	0	0	114.2
723	K	81.4	Confident	82.7	Confident	173 Å²	173	77.4 Å²	77.4	75%	0.752	42%	0.42	S	S	*	.	S	Bend	trans	-141.1	138.2	177.9	-64.6	-173.8	179.3	-175.2	0	108.8	H719 E721	H719-K723 PolarHBondContact CE1-O 3.14Å; H719-K723 VanDerWaalsContact CE1-O 3.3Å; E721-K723 PolarHBondContact O-N 3.46Å
724	C	83.2	Confident	82.8	Confident	39 Å²	39	77.9 Å²	77.9	26%	0.264	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63.5	149.2	177	-56.2	0	0	0	0	112.1
725	P	83.4	Confident	82.8	Confident	60 Å²	60	76.3 Å²	76.3	39%	0.39	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.9	171.7	25.7	-34.5	0	0	0	111.5	H716 C727	H716-P725 HydrophobicContact CB-CG 4.06Å; P725-C727 PolarHBondContact O-N 2.73Å
726	P	82.3	Confident	82.6	Confident	96 Å²	96	71.8 Å²	71.8	62%	0.623	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-61	130.1	-176.4	25.4	-34.5	0	0	0	111.1	T728 F748	P726-T728 PolarHBondContact O-N 3.46Å; P726-F748 HydrophobicContact CB-CB 4.01Å; P726-F748 HydrophobicContact CB-CD1 4.39Å; P726-F748 HydrophobicContact CB-CG 4.06Å
727	C	82.5	Confident	82.1	Confident	29 Å²	29	69.9 Å²	69.9	20%	0.196	39%	0.39	C	S	.	.			trans	-77.2	110.7	-168.3	-165.9	0	0	0	0	113.2	H712 P725 V729 C747 F748	H712-C727 PolarHBondContact CE1-SG 2.78Å; H712-C727 PolarHBondContact NE2-SG 2.68Å; P725-C727 PolarHBondContact O-N 2.73Å; C727-V729 VanDerWaalsContact C-N 3.28Å; C727-V729 PolarHBondContact O-N 2.73Å; C727-C747 HydrophobicContact CB-CB 4.05Å; C727-C747 WeakPolarHBondContact O-CB 3.38Å; C727-C747 PolarHBondContact O-N 3.1Å; C727-F748 WeakPolarHBondContact O-CD1 3.48Å; C727-F748 PolarHBondContact O-N 3.48Å; C727-F748 VanDerWaalsContact O-N 3.12Å
728	T	82.7	Confident	81.6	Confident	106 Å²	106	69.2 Å²	69.2	65%	0.65	40%	0.399	S	S	*	.			trans	-83	6.3	179.5	52.9	0	0	0	0	114.4	P726 I730 F748	P726-T728 PolarHBondContact O-N 3.46Å; T728-I730 PolarHBondContact O-N 2.98Å; T728-F748 HydrophobicContact CG2-CE1 4.46Å
729	V	81.3	Confident	81.1	Confident	28 Å²	28	70.6 Å²	70.6	17%	0.17	40%	0.404	C	S	.	.			trans	-62.9	132.7	174.5	173.8	0	0	0	0	109.5	K715 C727 P746 C747	K715-V729 HydrophobicContact CD-CG2 4.07Å; K715-V729 HydrophobicContact CG-CG2 4.44Å; C727-V729 VanDerWaalsContact C-N 3.28Å; C727-V729 PolarHBondContact O-N 2.73Å; V729-P746 CarbonylContact O-C 3.49Å; V729-C747 WeakPolarHBondContact O-CB 3.28Å; V729-C747 PolarHBondContact O-N 3.21Å
730	I	83.8	Confident	80.8	Confident	114 Å²	114	70.8 Å²	70.8	59%	0.585	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	-174.6	-65.8	-179.8	0	0	0	109.1	T728 K744	T728-I730 PolarHBondContact O-N 2.98Å; I730-K744 HydrophobicContact CG2-CB 3.48Å; I730-K744 VanDerWaalsContact CG2-CB 3.48Å; I730-K744 HydrophobicContact CG2-CG 3.93Å
731	M	80.5	Confident	80.8	Confident	66 Å²	66	70.1 Å²	70.1	33%	0.325	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.1	-178.1	-60.6	-177.6	75.1	0	0	111	K744 V745 C747	M731-K744 CarbonylContact O-C 3.57Å; M731-V745 PolarHBondContact N-O 3.35Å; M731-V745 WeakPolarHBondContact O-CA 3.36Å; M731-V745 PolarHBondContact O-N 3.36Å; M731-C747 HydrophobicContact CG-CB 4.4Å; M731-C747 HydrophobicContact SD-CB 3.78Å; M731-C747 VanDerWaalsContact SD-SG 3.69Å
732	D	86.4	Confident	80.4	Confident	96 Å²	96	65.5 Å²	65.5	51%	0.513	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.4	175.2	-59.3	-28.4	0	0	0	110.2	V741 Q742 F743 K744	D732-V741 HydrophobicContact CB-CG1 4.02Å; D732-Q742 WeakPolarHBondContact CA-O 3.43Å; D732-F743 HydrophobicContact CB-CD1 4.23Å; D732-F743 WeakPolarHBondContact OD1-CA 3.41Å; D732-K744 PolarHBondContact OD1-N 3.18Å
733	K	81.5	Confident	80.3	Confident	51 Å²	51	65.7 Å²	65.7	22%	0.222	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138	-171.9	-62.2	-171.2	-175.6	-176.2	0	112.1	Q742 V745 P746 C747 Q749 V751	K733-Q742 PolarHBondContact N-O 3.06Å; K733-Q742 PolarHBondContact O-N 2.93Å; K733-V745 HydrophobicContact CB-CG2 4.22Å; K733-V745 HydrophobicContact CD-CB 4.06Å; K733-V745 HydrophobicContact CD-CG1 4Å; K733-V745 HydrophobicContact CG-CB 4.19Å; K733-V745 HydrophobicContact CG-CG2 4.43Å; K733-P746 PolarHBondContact NZ-O 3.12Å; K733-C747 PolarHBondContact NZ-O 3.41Å; K733-Q749 PolarHBondContact NZ-O 2.92Å; K733-V751 HydrophobicContact CB-CG2 3.86Å; K733-V751 HydrophobicContact CD-CG2 4.44Å
734	V	83	Confident	80.3	Confident	109 Å²	109	64.1 Å²	64.1	66%	0.661	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.5	-179.3	-172.3	0	0	0	0	111	V741	V734-V741 HydrophobicContact CG2-CG2 4.49Å
735	C	82	Confident	80.1	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.027	36%	0.362	C	S	.	.			trans	-70.1	131	175.5	179.8	0	0	0	0	111.8	G737 G738 G740 C754 C773	C735-G737 PolarHBondContact O-N 2.93Å; C735-G737 VanDerWaalsContact O-N 3.08Å; C735-G737 PolarHBondContact SG-N 2.97Å; C735-G738 PolarHBondContact O-N 2.83Å; C735-G740 VanDerWaalsContact CB-O 3.25Å; C735-G740 WeakPolarHBondContact CB-O 3.48Å; C735-G740 PolarHBondContact N-O 3.34Å; C735-C754 HydrophobicContact CB-CB 4.17Å; C735-C754 VanDerWaalsContact SG-CB 3.53Å; C735-C773 VanDerWaalsContact SG-SG 3.63Å
736	P	75.8	Confident	80.1	Confident	72 Å²	72	60.9 Å²	60.9	47%	0.468	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.2	176.2	-26.7	34.8	0	0	0	115.3	G738 V751	P736-G738 VanDerWaalsContact C-N 3.3Å; P736-V751 VanDerWaalsContact CG-O 3.26Å; P736-V751 WeakPolarHBondContact CG-O 3.4Å
737	G	70.6	Confident	80.2	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.021	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.7	174.5	0	0	0	0	0	114.3	C735 K760	C735-G737 PolarHBondContact O-N 2.93Å; C735-G737 VanDerWaalsContact O-N 3.08Å; C735-G737 PolarHBondContact SG-N 2.97Å; G737-K760 VanDerWaalsContact O-CE 3.26Å; G737-K760 WeakPolarHBondContact O-CE 3.28Å; G737-K760 PolarHBondContact O-NZ 2.88Å
738	G	76.8	Confident	80.3	Confident	63 Å²	63	61.7 Å²	61.7	65%	0.649	35%	0.346	S	S	*	.	S	Bend	trans	84.2	8.1	-172.5	0	0	0	0	0	114.5	C735 P736 G740	C735-G738 PolarHBondContact O-N 2.83Å; P736-G738 VanDerWaalsContact C-N 3.3Å; G738-G740 PolarHBondContact O-N 3.27Å
739	H	75.4	Confident	80.1	Confident	37 Å²	37	59.7 Å²	59.7	17%	0.171	33%	0.33	C	S	.	.	S	Bend	trans	-87.9	6.7	-170	-60.5	112.6	0	0	0	115.8	C754 R756 C758 C773	H739-C754 WeakPolarHBondContact CB-SG 3.47Å; H739-R756 PolarHBondContact O-NH1 3.46Å; H739-C758 WeakPolarHBondContact NE2-CA 2.98Å; H739-C758 PolarHBondContact NE2-O 2.95Å; H739-C773 PolarHBondContact ND1-SG 3.32Å
740	G	80.2	Confident	80	Confident	31 Å²	31	64 Å²	64	32%	0.32	35%	0.348	S	S	.	.			trans	142.3	-174.1	178.2	0	0	0	0	0	114.2	C735 G738	C735-G740 VanDerWaalsContact CB-O 3.25Å; C735-G740 WeakPolarHBondContact CB-O 3.48Å; C735-G740 PolarHBondContact N-O 3.34Å; G738-G740 PolarHBondContact O-N 3.27Å
741	V	82.9	Confident	79.5	Confident	62 Å²	62	59.3 Å²	59.3	38%	0.376	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.2	173.2	-178	0	0	0	0	109.4	D732 V734 F743	D732-V741 HydrophobicContact CB-CG1 4.02Å; V734-V741 HydrophobicContact CG2-CG2 4.49Å; V741-F743 HydrophobicContact CB-CE1 4.47Å; V741-F743 HydrophobicContact CB-CE2 4.05Å; V741-F743 HydrophobicContact CB-CZ 4.01Å; V741-F743 HydrophobicContact CG1-CD1 4.29Å; V741-F743 HydrophobicContact CG1-CE1 4.1Å; V741-F743 HydrophobicContact CG1-CE2 4.35Å; V741-F743 HydrophobicContact CG1-CG 4.49Å; V741-F743 HydrophobicContact CG1-CZ 4.14Å
742	Q	71.7	Confident	79.1	Confident	21 Å²	21	60.3 Å²	60.3	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.1	167.5	-61.5	-77.2	-123	0	0	107.7	S135 D732 K733 V745 V751	S135-Q742 PolarHBondContact O-NE2 3.04Å; S135-Q742 PolarHBondContact O-OE1 3.36Å; D732-Q742 WeakPolarHBondContact CA-O 3.43Å; K733-Q742 PolarHBondContact N-O 3.06Å; K733-Q742 PolarHBondContact O-N 2.93Å; Q742-V745 HydrophobicContact CB-CG2 3.64Å; Q742-V751 HydrophobicContact CB-CG2 4.14Å; Q742-V751 HydrophobicContact CG-CG1 3.8Å; Q742-V751 HydrophobicContact CG-CG2 4.16Å
743	F	79.4	Confident	78.6	Confident	120 Å²	120	57.6 Å²	57.6	53%	0.526	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.5	-169.5	-68.4	-85	0	0	0	110	E136 D732 V741	E136-F743 WeakPolarHBondContact CG-O 3.17Å; E136-F743 PolarHBondContact OE2-N 2.98Å; E136-F743 VanDerWaalsContact OE2-N 3.16Å; D732-F743 HydrophobicContact CB-CD1 4.23Å; D732-F743 WeakPolarHBondContact OD1-CA 3.41Å; V741-F743 HydrophobicContact CB-CE1 4.47Å; V741-F743 HydrophobicContact CB-CE2 4.05Å; V741-F743 HydrophobicContact CB-CZ 4.01Å; V741-F743 HydrophobicContact CG1-CD1 4.29Å; V741-F743 HydrophobicContact CG1-CE1 4.1Å; V741-F743 HydrophobicContact CG1-CE2 4.35Å; V741-F743 HydrophobicContact CG1-CG 4.49Å; V741-F743 HydrophobicContact CG1-CZ 4.14Å
744	K	81.1	Confident	78.6	Confident	141 Å²	141	56.3 Å²	56.3	61%	0.613	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	87.5	26.1	-177.1	-48.4	158.2	-173.4	169.4	0	117.6	E136 I730 M731 D732	E136-K744 HydrophobicContact CG-CB 4.42Å; I730-K744 HydrophobicContact CG2-CB 3.48Å; I730-K744 VanDerWaalsContact CG2-CB 3.48Å; I730-K744 HydrophobicContact CG2-CG 3.93Å; M731-K744 CarbonylContact O-C 3.57Å; D732-K744 PolarHBondContact OD1-N 3.18Å
745	V	79.8	Confident	78.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130	174.7	-166.8	0	0	0	0	110.7	E136 M731 K733 Q742 Q749 V751	E136-V745 WeakPolarHBondContact OE1-CA 3.35Å; E136-V745 PolarHBondContact OE1-N 2.96Å; E136-V745 VanDerWaalsContact OE1-N 3.13Å; M731-V745 PolarHBondContact N-O 3.35Å; M731-V745 WeakPolarHBondContact O-CA 3.36Å; M731-V745 PolarHBondContact O-N 3.36Å; K733-V745 HydrophobicContact CB-CG2 4.22Å; K733-V745 HydrophobicContact CD-CB 4.06Å; K733-V745 HydrophobicContact CD-CG1 4Å; K733-V745 HydrophobicContact CG-CB 4.19Å; K733-V745 HydrophobicContact CG-CG2 4.43Å; Q742-V745 HydrophobicContact CB-CG2 3.64Å; V745-Q749 HydrophobicContact CG1-CB 4.11Å; V745-Q749 HydrophobicContact CG1-CG 4.23Å; V745-V751 HydrophobicContact CG1-CG2 4.11Å; V745-V751 HydrophobicContact CG2-CG2 3.83Å
746	P	83.5	Confident	78.3	Confident	31 Å²	31	60.7 Å²	60.7	20%	0.201	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	141.9	172.3	-25.4	34.9	0	0	0	112.2	V729 K733 F748 Q749	V729-P746 CarbonylContact O-C 3.49Å; K733-P746 PolarHBondContact NZ-O 3.12Å; P746-F748 HydrophobicContact CB-CD1 3.69Å; P746-F748 HydrophobicContact CB-CE1 3.52Å; P746-F748 HydrophobicContact CB-CZ 4.33Å; P746-F748 HydrophobicContact CG-CE1 4.2Å; P746-F748 PolarHBondContact O-N 3.39Å; P746-Q749 HydrophobicContact CB-CB 4.24Å; P746-Q749 PolarHBondContact O-N 3.02Å
747	C	83.4	Confident	78.5	Confident	25 Å²	25	61.8 Å²	61.8	17%	0.169	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-43.4	-178.1	-178.6	0	0	0	0	111.7	C727 V729 M731 K733 Q749	C727-C747 HydrophobicContact CB-CB 4.05Å; C727-C747 WeakPolarHBondContact O-CB 3.38Å; C727-C747 PolarHBondContact O-N 3.1Å; V729-C747 WeakPolarHBondContact O-CB 3.28Å; V729-C747 PolarHBondContact O-N 3.21Å; M731-C747 HydrophobicContact CG-CB 4.4Å; M731-C747 HydrophobicContact SD-CB 3.78Å; M731-C747 VanDerWaalsContact SD-SG 3.69Å; K733-C747 PolarHBondContact NZ-O 3.41Å; C747-Q749 VanDerWaalsContact C-N 3.25Å; C747-Q749 PolarHBondContact O-N 3.25Å
748	F	83.9	Confident	79.2	Confident	116 Å²	116	61.9 Å²	61.9	51%	0.509	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15	177.7	81.9	-94.5	0	0	0	115.9	P726 C727 T728 P746	P726-F748 HydrophobicContact CB-CB 4.01Å; P726-F748 HydrophobicContact CB-CD1 4.39Å; P726-F748 HydrophobicContact CB-CG 4.06Å; C727-F748 WeakPolarHBondContact O-CD1 3.48Å; C727-F748 PolarHBondContact O-N 3.48Å; C727-F748 VanDerWaalsContact O-N 3.12Å; T728-F748 HydrophobicContact CG2-CE1 4.46Å; P746-F748 HydrophobicContact CB-CD1 3.69Å; P746-F748 HydrophobicContact CB-CE1 3.52Å; P746-F748 HydrophobicContact CB-CZ 4.33Å; P746-F748 HydrophobicContact CG-CE1 4.2Å; P746-F748 PolarHBondContact O-N 3.39Å
749	Q	80.3	Confident	79.5	Confident	64 Å²	64	63.4 Å²	63.4	30%	0.299	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-101.9	126.7	-168.6	-179	169.8	-31.9	0	0	112.4	S134 K733 V745 P746 C747	S134-Q749 PolarHBondContact OG-NE2 3.13Å; K733-Q749 PolarHBondContact NZ-O 2.92Å; V745-Q749 HydrophobicContact CG1-CB 4.11Å; V745-Q749 HydrophobicContact CG1-CG 4.23Å; P746-Q749 HydrophobicContact CB-CB 4.24Å; P746-Q749 PolarHBondContact O-N 3.02Å; C747-Q749 VanDerWaalsContact C-N 3.25Å; C747-Q749 PolarHBondContact O-N 3.25Å
750	E	77.5	Confident	79.7	Confident	118 Å²	118	65.8 Å²	65.8	55%	0.551	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-75.4	143.5	172.2	-65.8	176.4	174	0	0	111.8	S134 R752	S134-E750 PolarHBondContact OG-O 2.67Å; E750-R752 IonicContact OE2-CZ 3.99Å; E750-R752 IonicContact OE2-NE 2.64Å; E750-R752 PolarHBondContact OE2-NE 3.25Å; E750-R752 IonicContact OE2-NH2 3.37Å; E750-R752 PolarHBondContact OE2-NH2 3.5Å
751	V	75	Confident	79.8	Confident	17 Å²	17	68.8 Å²	68.8	10%	0.103	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-90.5	131.7	163.6	179.8	0	0	0	0	107.8	K733 P736 Q742 V745	K733-V751 HydrophobicContact CB-CG2 3.86Å; K733-V751 HydrophobicContact CD-CG2 4.44Å; P736-V751 VanDerWaalsContact CG-O 3.26Å; P736-V751 WeakPolarHBondContact CG-O 3.4Å; Q742-V751 HydrophobicContact CB-CG2 4.14Å; Q742-V751 HydrophobicContact CG-CG1 3.8Å; Q742-V751 HydrophobicContact CG-CG2 4.16Å; V745-V751 HydrophobicContact CG1-CG2 4.11Å; V745-V751 HydrophobicContact CG2-CG2 3.83Å
752	R	70.8	Confident	79.7	Confident	87 Å²	87	66.5 Å²	66.5	33%	0.328	33%	0.333	S	S	.	.			trans	-119.1	-32.5	-177.9	-61.8	-101.9	-175.1	125.5	-14.3	112.3	T132 G133 E750	T132-R752 WeakPolarHBondContact O-CB 3.49Å; T132-R752 VanDerWaalsContact OG1-CD 3.3Å; T132-R752 WeakPolarHBondContact OG1-CD 3.45Å; T132-R752 WeakPolarHBondContact OG1-CG 3.48Å; T132-R752 PolarHBondContact OG1-NH1 3.36Å; G133-R752 PolarHBondContact O-N 3.49Å; G133-R752 VanDerWaalsContact O-N 3.16Å; E750-R752 IonicContact OE2-CZ 3.99Å; E750-R752 IonicContact OE2-NE 2.64Å; E750-R752 PolarHBondContact OE2-NE 3.25Å; E750-R752 IonicContact OE2-NH2 3.37Å; E750-R752 PolarHBondContact OE2-NH2 3.5Å
753	S	77.2	Confident	79.9	Confident	38 Å²	38	69.7 Å²	69.7	27%	0.266	36%	0.355	S	S	.	.			trans	-149.3	174.8	168.2	78.3	0	0	0	0	110.5	G133 S134 C773	G133-S753 PolarHBondContact O-N 3.21Å; S134-S753 VanDerWaalsContact O-O 3.11Å; S753-C773 WeakPolarHBondContact CB-O 3.45Å
754	C	80.6	Confident	79.8	Confident	24 Å²	24	66.7 Å²	66.7	16%	0.162	36%	0.358	C	S	.	.			trans	-120.6	12.9	170.9	67.9	0	0	0	0	113.5	C735 H739 R756 C773	C735-C754 HydrophobicContact CB-CB 4.17Å; C735-C754 VanDerWaalsContact SG-CB 3.53Å; H739-C754 WeakPolarHBondContact CB-SG 3.47Å; C754-R756 PolarHBondContact O-N 2.59Å; C754-C773 PolarHBondContact N-SG 2.82Å
755	G	78.1	Confident	79.8	Confident	47 Å²	47	61.1 Å²	61.1	49%	0.485	34%	0.337	S	S	.	.			trans	69.7	-22.9	-179.7	0	0	0	0	0	117.7
756	R	80.4	Confident	80	Confident	159 Å²	159	65 Å²	65	60%	0.6	36%	0.364	S	S	*	.	S	Bend	trans	-57.7	156.1	-179.8	-65.2	177.5	172.9	-174.3	-8.3	112.7	H739 C754 K772 C773	H739-R756 PolarHBondContact O-NH1 3.46Å; C754-R756 PolarHBondContact O-N 2.59Å; R756-K772 CarbonylContact O-C 3.53Å; R756-C773 WeakPolarHBondContact O-CA 3.34Å; R756-C773 WeakPolarHBondContact O-CB 3.14Å; R756-C773 PolarHBondContact O-N 3.16Å
757	I	80.6	Confident	79.9	Confident	95 Å²	95	64.4 Å²	64.4	49%	0.487	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-67.8	141.5	172.2	-48.7	178.4	0	0	0	109	N759 R771	I757-N759 VanDerWaalsContact CG2-OD1 3.23Å; I757-N759 WeakPolarHBondContact CG2-OD1 3.35Å; I757-R771 CarbonylContact C-O 3.56Å; I757-R771 WeakPolarHBondContact CA-O 3.39Å
758	C	84	Confident	80.1	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.02	37%	0.372	C	S	.	.			trans	-68.6	-41.1	-169.2	-169.4	0	0	0	0	112.9	H739 K760 C769 R771 H774	H739-C758 WeakPolarHBondContact NE2-CA 2.98Å; H739-C758 PolarHBondContact NE2-O 2.95Å; C758-K760 PolarHBondContact O-N 3.33Å; C758-C769 HydrophobicContact CB-CB 4.08Å; C758-R771 WeakPolarHBondContact CB-O 3.38Å; C758-R771 PolarHBondContact N-O 2.8Å; C758-H774 PolarHBondContact SG-NE2 2.75Å
759	N	83.1	Confident	80	Confident	96 Å²	96	61.9 Å²	61.9	51%	0.513	35%	0.348	S	S	.	.			trans	54.3	3.4	175	-69.4	-0.6	0	0	0	117.2	I757 C769	I757-N759 VanDerWaalsContact CG2-OD1 3.23Å; I757-N759 WeakPolarHBondContact CG2-OD1 3.35Å; N759-C769 PolarHBondContact N-O 3.44Å
760	K	80.6	Confident	80.1	Confident	86 Å²	86	65.3 Å²	65.3	37%	0.374	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.7	142.2	171	-64.4	179.1	-174.5	178.8	0	109.6	G737 C758 C769	G737-K760 VanDerWaalsContact O-CE 3.26Å; G737-K760 WeakPolarHBondContact O-CE 3.28Å; G737-K760 PolarHBondContact O-NZ 2.88Å; C758-K760 PolarHBondContact O-N 3.33Å; K760-C769 VanDerWaalsContact O-CB 3.26Å; K760-C769 WeakPolarHBondContact O-CB 3.42Å; K760-C769 PolarHBondContact O-N 3.3Å
761	P	81.9	Confident	80.1	Confident	95 Å²	95	64.3 Å²	64.3	62%	0.617	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-62.3	142.9	178.4	26.6	-34.6	0	0	0	110.9	L768	P761-L768 HydrophobicContact CB-CD2 4.28Å
762	L	80.2	Confident	80.4	Confident	13 Å²	13	71.5 Å²	71.5	7%	0.068	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-84.6	137.6	174.8	-65.4	177.2	0	0	0	110.3	G764 H767 C769 C778 L779 C792	L762-G764 PolarHBondContact O-N 3.19Å; L762-H767 WeakPolarHBondContact CB-O 3.21Å; L762-H767 HydrophobicContact CD1-CB 4.4Å; L762-H767 PolarHBondContact N-O 3.04Å; L762-C769 HydrophobicContact CD2-CB 3.87Å; L762-C769 HydrophobicContact CG-CB 4.46Å; L762-C778 HydrophobicContact CD2-CB 3.6Å; L762-L779 HydrophobicContact CD2-CD2 4.11Å; L762-L779 HydrophobicContact CD2-CG 4.45Å; L762-C792 HydrophobicContact CD1-CB 4.45Å
763	P	77.2	Confident	81	Confident	88 Å²	88	67.8 Å²	67.8	57%	0.571	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	135.1	173.9	-26.3	34.8	0	0	0	112.3	C765 L779	P763-C765 PolarHBondContact O-N 3.32Å; P763-L779 HydrophobicContact CB-CD1 4.45Å; P763-L779 HydrophobicContact CG-CD1 4.19Å
764	G	76.2	Confident	81.1	Confident	57 Å²	57	67.6 Å²	67.6	59%	0.588	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.6	171	0	0	0	0	0	117.3	L762	L762-G764 PolarHBondContact O-N 3.19Å
765	C	81.8	Confident	80.7	Confident	25 Å²	25	69.9 Å²	69.9	17%	0.169	38%	0.384	C	S	.	.	S	Bend	trans	-153.5	170.2	174.7	61.6	0	0	0	0	112.6	P763 H767 C792 C811 E813 V814	P763-C765 PolarHBondContact O-N 3.32Å; C765-H767 PolarHBondContact O-N 2.99Å; C765-C792 HydrophobicContact CB-CB 4.3Å; C765-C792 WeakPolarHBondContact SG-CB 3.43Å; C765-C792 VanDerWaalsContact SG-SG 3.67Å; C765-C811 VanDerWaalsContact CB-SG 3.59Å; C765-E813 HydrophobicContact CB-CB 4.29Å; C765-V814 HydrophobicContact CB-CG2 4.02Å
766	S	83	Confident	80.5	Confident	81 Å²	81	70.1 Å²	70.1	57%	0.566	39%	0.386	S	S	*	.	S	Bend	trans	-75.9	-7.1	174.1	63.9	0	0	0	0	114.3	E813	S766-E813 VanDerWaalsContact CB-OE2 3.31Å; S766-E813 WeakPolarHBondContact CB-OE2 3.33Å; S766-E813 PolarHBondContact N-OE2 3.5Å; S766-E813 VanDerWaalsContact OG-CD 3.32Å; S766-E813 PolarHBondContact OG-OE1 3.35Å; S766-E813 PolarHBondContact OG-OE2 3.07Å
767	H	82.4	Confident	80.3	Confident	19 Å²	19	66.4 Å²	66.4	9%	0.088	38%	0.383	C	S	.	.			trans	-77.5	146.2	-174	-60.8	162.1	0	0	0	113.3	L762 C765 C792 Q794 C811	L762-H767 WeakPolarHBondContact CB-O 3.21Å; L762-H767 HydrophobicContact CD1-CB 4.4Å; L762-H767 PolarHBondContact N-O 3.04Å; C765-H767 PolarHBondContact O-N 2.99Å; H767-C792 PolarHBondContact ND1-SG 3.12Å; H767-C792 VanDerWaalsContact ND1-SG 3.36Å; H767-Q794 PolarHBondContact CE1-O 3.44Å; H767-C811 PolarHBondContact CE1-SG 3.32Å; H767-C811 PolarHBondContact ND1-SG 3.11Å; H767-C811 VanDerWaalsContact ND1-SG 3.38Å
768	L	86.7	Confident	80.3	Confident	85 Å²	85	62.6 Å²	62.6	45%	0.445	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-97.6	154.5	179.6	-56.4	-177.6	0	0	0	112.2	P761 Q770 Q794	P761-L768 HydrophobicContact CB-CD2 4.28Å; L768-Q770 PolarHBondContact O-N 3.49Å; L768-Q770 VanDerWaalsContact O-N 3.09Å; L768-Q794 PolarHBondContact O-NE2 3.33Å; L768-Q794 PolarHBondContact O-OE1 2.95Å
769	C	83.6	Confident	79.7	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.014	37%	0.374	C	S	.	.			trans	-71.3	102.6	178.3	-174.8	0	0	0	0	112.2	C758 N759 K760 L762 R771 C778	C758-C769 HydrophobicContact CB-CB 4.08Å; N759-C769 PolarHBondContact N-O 3.44Å; K760-C769 VanDerWaalsContact O-CB 3.26Å; K760-C769 WeakPolarHBondContact O-CB 3.42Å; K760-C769 PolarHBondContact O-N 3.3Å; L762-C769 HydrophobicContact CD2-CB 3.87Å; L762-C769 HydrophobicContact CG-CB 4.46Å; C769-R771 PolarHBondContact O-N 3.26Å; C769-C778 HydrophobicContact CB-CB 3.86Å; C769-C778 VanDerWaalsContact SG-CB 3.59Å
770	Q	81.9	Confident	78.6	Confident	137 Å²	137	65.2 Å²	65.2	64%	0.64	38%	0.378	S	S	*	.			trans	-78.3	4.8	178.7	-56.8	-174.8	25.3	0	0	114.1	L768	L768-Q770 PolarHBondContact O-N 3.49Å; L768-Q770 VanDerWaalsContact O-N 3.09Å
771	R	76.8	Confident	77.4	Confident	97 Å²	97	68.2 Å²	68.2	37%	0.366	40%	0.397	S	S	.	.	S	Bend	trans	-72.5	155.3	177.5	-58.2	168.9	81.5	130.2	2.2	110.6	I757 C758 C769 C778 D780	I757-R771 CarbonylContact C-O 3.56Å; I757-R771 WeakPolarHBondContact CA-O 3.39Å; C758-R771 WeakPolarHBondContact CB-O 3.38Å; C758-R771 PolarHBondContact N-O 2.8Å; C769-R771 PolarHBondContact O-N 3.26Å; R771-C778 VanDerWaalsContact CD-O 3.3Å; R771-C778 WeakPolarHBondContact CD-O 3.17Å; R771-C778 PolarHBondContact NH1-O 3.42Å; R771-C778 VanDerWaalsContact NH1-O 3.13Å; R771-D780 IonicContact CZ-OD1 2.67Å; R771-D780 IonicContact CZ-OD2 2.77Å; R771-D780 IonicContact NH1-OD1 2.78Å; R771-D780 PolarHBondContact NH1-OD1 3.29Å; R771-D780 IonicContact NH1-OD2 3.94Å; R771-D780 PolarHBondContact NH1-OD2 2.88Å; R771-D780 IonicContact NH2-OD1 2.81Å; R771-D780 PolarHBondContact NH2-OD1 3.17Å; R771-D780 IonicContact NH2-OD2 3.16Å; R771-D780 PolarHBondContact NH2-OD2 2.9Å
772	K	80.8	Confident	75.3	Confident	167 Å²	167	68.2 Å²	68.2	73%	0.726	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-64.6	155.3	164.7	-66	-177.6	179.6	-179.5	0	110.6	R756 H774	R756-K772 CarbonylContact O-C 3.53Å; K772-H774 PolarHBondContact O-CD2 3.44Å; K772-H774 PolarHBondContact O-N 2.71Å; K772-H774 VanDerWaalsContact O-N 3.15Å
773	C	84.1	Confident	73.4	Confident	10 Å²	10	72.1 Å²	72.1	7%	0.068	43%	0.434	C	S	.	.			trans	-44.9	116	179.1	170.2	0	0	0	0	111.7	C735 H739 S753 C754 R756	C735-C773 VanDerWaalsContact SG-SG 3.63Å; H739-C773 PolarHBondContact ND1-SG 3.32Å; S753-C773 WeakPolarHBondContact CB-O 3.45Å; C754-C773 PolarHBondContact N-SG 2.82Å; R756-C773 WeakPolarHBondContact O-CA 3.34Å; R756-C773 WeakPolarHBondContact O-CB 3.14Å; R756-C773 PolarHBondContact O-N 3.16Å
774	H	78.4	Confident	71.6	Confident	34 Å²	34	73.5 Å²	73.5	16%	0.157	45%	0.445	C	S	.	.			trans	-124.7	149.3	179.1	56.7	81.6	0	0	0	110.2	C758 K772 G776 P777 C778	C758-H774 PolarHBondContact SG-NE2 2.75Å; K772-H774 PolarHBondContact O-CD2 3.44Å; K772-H774 PolarHBondContact O-N 2.71Å; K772-H774 VanDerWaalsContact O-N 3.15Å; H774-G776 PolarHBondContact CE1-O 2.96Å; H774-G776 VanDerWaalsContact CE1-O 3.28Å; H774-G776 PolarHBondContact ND1-O 2.78Å; H774-G776 VanDerWaalsContact ND1-O 3.14Å; H774-P777 VanDerWaalsContact CE1-C 3.49Å; H774-P777 PolarHBondContact CE1-O 2.98Å; H774-P777 PolarHBondContact ND1-O 2.77Å; H774-C778 VanDerWaalsContact CE1-SG 3.59Å
775	S	73.4	Confident	70	Confident	72 Å²	72	78 Å²	78	50%	0.503	46%	0.456	S	S	.	.	S	Bend	trans	-81	128.4	163.2	52	0	0	0	0	109.3
776	G	73.4	Confident	68.3	Low	51 Å²	51	85.2 Å²	85.2	53%	0.526	49%	0.487	S	S	.	.	S	Bend	trans	107	-172	-178.4	0	0	0	0	0	114.4	H774	H774-G776 PolarHBondContact CE1-O 2.96Å; H774-G776 VanDerWaalsContact CE1-O 3.28Å; H774-G776 PolarHBondContact ND1-O 2.78Å; H774-G776 VanDerWaalsContact ND1-O 3.14Å
777	P	77	Confident	66.3	Low	81 Å²	81	90.6 Å²	90.6	53%	0.526	50%	0.503	S	S	.	.			trans	-68.4	162.1	-177.5	29.4	-35.3	0	0	0	113	H774 L781	H774-P777 VanDerWaalsContact CE1-C 3.49Å; H774-P777 PolarHBondContact CE1-O 2.98Å; H774-P777 PolarHBondContact ND1-O 2.77Å; P777-L781 HydrophobicContact CG-CD1 4.25Å
778	C	79.4	Confident	64.3	Low	15 Å²	15	94.5 Å²	94.5	10%	0.101	53%	0.532	C	S	.	.	S	Bend	trans	-84	-25	-176.3	-64.6	0	0	0	0	114.2	L762 C769 R771 H774	L762-C778 HydrophobicContact CD2-CB 3.6Å; C769-C778 HydrophobicContact CB-CB 3.86Å; C769-C778 VanDerWaalsContact SG-CB 3.59Å; R771-C778 VanDerWaalsContact CD-O 3.3Å; R771-C778 WeakPolarHBondContact CD-O 3.17Å; R771-C778 PolarHBondContact NH1-O 3.42Å; R771-C778 VanDerWaalsContact NH1-O 3.13Å; H774-C778 VanDerWaalsContact CE1-SG 3.59Å
779	L	72.5	Confident	62.6	Low	44 Å²	44	95 Å²	95	23%	0.23	53%	0.534	C	S	.	.	S	Bend	trans	-97.4	133.9	168.8	-58.3	175.3	0	0	0	107.2	L762 P763 L781	L762-L779 HydrophobicContact CD2-CD2 4.11Å; L762-L779 HydrophobicContact CD2-CG 4.45Å; P763-L779 HydrophobicContact CB-CD1 4.45Å; P763-L779 HydrophobicContact CG-CD1 4.19Å; L779-L781 PolarHBondContact O-N 2.91Å
780	D	59.4	Low	61.6	Low	110 Å²	110	100.6 Å²	100.6	59%	0.588	57%	0.569	S	S	*	*			trans	-76.6	123.9	179.8	-63.1	-50.6	0	0	0	109.8	R771 A782	R771-D780 IonicContact CZ-OD1 2.67Å; R771-D780 IonicContact CZ-OD2 2.77Å; R771-D780 IonicContact NH1-OD1 2.78Å; R771-D780 PolarHBondContact NH1-OD1 3.29Å; R771-D780 IonicContact NH1-OD2 3.94Å; R771-D780 PolarHBondContact NH1-OD2 2.88Å; R771-D780 IonicContact NH2-OD1 2.81Å; R771-D780 PolarHBondContact NH2-OD1 3.17Å; R771-D780 IonicContact NH2-OD2 3.16Å; R771-D780 PolarHBondContact NH2-OD2 2.9Å; D780-A782 VanDerWaalsContact C-N 3.34Å
781	L	55	Low	61.1	Low	150 Å²	150	96.5 Å²	96.5	79%	0.785	55%	0.553	S	S	*	*			trans	-98	19.6	175	-74.8	160.7	0	0	0	111.7	P777 L779	P777-L781 HydrophobicContact CG-CD1 4.25Å; L779-L781 PolarHBondContact O-N 2.91Å
782	A	37.9	Very low	61.3	Low	94 Å²	94	92.1 Å²	92.1	78%	0.777	54%	0.538	S	S	*	.			trans	-146.5	56	-158.3	0	0	0	0	0	114.7	D780	D780-A782 VanDerWaalsContact C-N 3.34Å
783	S	40.6	Very low	61.3	Low	96 Å²	96	89.9 Å²	89.9	67%	0.671	53%	0.532	S	S	*	.			trans	-130.7	118.6	151.3	52.5	0	0	0	0	108.5	D785	S783-D785 PolarHBondContact O-N 3.11Å; S783-D785 VanDerWaalsContact O-N 3.16Å
784	S	38.7	Very low	61.1	Low	116 Å²	116	91.1 Å²	91.1	81%	0.811	54%	0.537	S	S	*	.			trans	-77.7	93.7	171.6	53.9	0	0	0	0	109.2
785	D	43.7	Very low	61.3	Low	151 Å²	151	92.9 Å²	92.9	81%	0.807	55%	0.551	S	S	*	*	S	Bend	trans	-170.2	156.6	153.1	-85.6	-33.5	0	0	0	107.6	S783	S783-D785 PolarHBondContact O-N 3.11Å; S783-D785 VanDerWaalsContact O-N 3.16Å
786	E	44.9	Very low	61.7	Low	178 Å²	178	89.6 Å²	89.6	83%	0.832	53%	0.528	S	S	*	.	S	Bend	trans	-66.7	151.3	-159.7	-55.6	-72.5	97.5	0	0	116.5	C788	E786-C788 PolarHBondContact O-N 3.41Å
787	E	42.3	Very low	62.1	Low	194 Å²	194	94 Å²	94	91%	0.907	54%	0.535	S	S	*	.	S	Bend	trans	59.1	33.4	158	-61	-159.8	134	0	0	121.3
788	C	39.1	Very low	62.2	Low	101 Å²	101	94.5 Å²	94.5	68%	0.682	53%	0.529	S	S	*	.			trans	-157.1	142.1	160.5	-105.9	0	0	0	0	113.4	E786	E786-C788 PolarHBondContact O-N 3.41Å
789	N	52.8	Low	62.1	Low	94 Å²	94	98 Å²	98	50%	0.503	55%	0.551	S	S	.	*			cis	-155.1	107.1	-11.1	-147.3	-14.5	0	0	0	107.5	V791	N789-V791 PolarHBondContact O-N 3.11Å; N789-V791 VanDerWaalsContact OD1-CG2 3.31Å; N789-V791 WeakPolarHBondContact OD1-CG2 3.27Å
790	T	61.8	Low	62.1	Low	121 Å²	121	98.2 Å²	98.2	74%	0.742	55%	0.549	S	S	*	.	S	Bend	trans	-77.6	3.4	-173.2	48.6	0	0	0	0	114.3
791	V	71.3	Confident	62.5	Low	50 Å²	50	98.8 Å²	98.8	30%	0.303	56%	0.559	S	S	.	*	S	Bend	trans	-119.4	156.9	-170.5	-59.4	0	0	0	0	111.6	N789 V814	N789-V791 PolarHBondContact O-N 3.11Å; N789-V791 VanDerWaalsContact OD1-CG2 3.31Å; N789-V791 WeakPolarHBondContact OD1-CG2 3.27Å; V791-V814 HydrophobicContact CB-CB 4.28Å; V791-V814 HydrophobicContact CB-CG1 3.87Å; V791-V814 HydrophobicContact CB-CG2 4.32Å; V791-V814 HydrophobicContact CG1-CB 4.44Å; V791-V814 HydrophobicContact CG1-CG1 3.63Å
792	C	80.5	Confident	63	Low	6 Å²	6	94.4 Å²	94.4	4%	0.041	55%	0.55	C	S	.	*			trans	-67.1	138.1	177.2	-173.3	0	0	0	0	111.8	L762 C765 H767 C811 V814	L762-C792 HydrophobicContact CD1-CB 4.45Å; C765-C792 HydrophobicContact CB-CB 4.3Å; C765-C792 WeakPolarHBondContact SG-CB 3.43Å; C765-C792 VanDerWaalsContact SG-SG 3.67Å; H767-C792 PolarHBondContact ND1-SG 3.12Å; H767-C792 VanDerWaalsContact ND1-SG 3.36Å; C792-C811 HydrophobicContact CB-CB 4.02Å; C792-C811 WeakPolarHBondContact O-CB 3.38Å; C792-V814 HydrophobicContact CB-CG2 4.05Å
793	I	81.5	Confident	64.7	Low	120 Å²	120	91.1 Å²	91.1	62%	0.615	52%	0.521	S	S	*	.			trans	-117.9	8.1	177.6	61.9	171.4	0	0	0	113.5
794	Q	78.8	Confident	66.3	Low	36 Å²	36	88.9 Å²	88.9	17%	0.168	51%	0.513	C	S	.	.	S	Bend	trans	-67.3	146	177.4	-64.4	-178.9	21.2	0	0	111.3	H767 L768 C811	H767-Q794 PolarHBondContact CE1-O 3.44Å; L768-Q794 PolarHBondContact O-NE2 3.33Å; L768-Q794 PolarHBondContact O-OE1 2.95Å; Q794-C811 WeakPolarHBondContact O-CB 3.31Å; Q794-C811 PolarHBondContact O-N 2.92Å
795	P	82.9	Confident	68.2	Low	71 Å²	71	84.8 Å²	84.8	46%	0.461	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-68.7	139.6	-178.1	28.4	-35.3	0	0	0	112.1	Q797 L809	P795-Q797 PolarHBondContact O-N 3.36Å; P795-L809 CarbonylContact C-O 3.6Å; P795-L809 WeakPolarHBondContact CA-O 3.45Å
796	C	83.5	Confident	69.8	Low	2 Å²	2	80.9 Å²	80.9	1%	0.014	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-74.5	123.2	-177.7	-169.1	0	0	0	0	111.8	C807 G808 L809	C796-C807 HydrophobicContact CB-CB 4.23Å; C796-G808 PolarHBondContact O-N 3.48Å; C796-G808 VanDerWaalsContact O-N 3.13Å; C796-L809 PolarHBondContact N-O 2.98Å
797	Q	81.1	Confident	71.5	Confident	144 Å²	144	72.6 Å²	72.6	67%	0.673	43%	0.426	S	S	*	.			trans	-86.6	1.8	-179.3	-64.4	-70.6	-1.7	0	0	114.1	P795	P795-Q797 PolarHBondContact O-N 3.36Å
798	K	79.2	Confident	73.2	Confident	92 Å²	92	65.8 Å²	65.8	40%	0.4	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-66.3	137.7	-179	-69.4	178.9	-176.7	175.6	0	110.9	P806 C807 E813	K798-P806 CarbonylContact O-C 3.58Å; K798-C807 WeakPolarHBondContact O-CB 3.43Å; K798-C807 PolarHBondContact O-N 2.91Å; K798-E813 WeakPolarHBondContact CE-OE1 3.17Å; K798-E813 IonicContact NZ-OE1 2.64Å; K798-E813 PolarHBondContact NZ-OE1 3.35Å
799	P	76.8	Confident	75	Confident	87 Å²	87	61.9 Å²	61.9	57%	0.565	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-72	149	-176.6	29.7	-36.1	0	0	0	112.7	G804	P799-G804 WeakPolarHBondContact CB-O 3.48Å
800	R	72.9	Confident	76.3	Confident	50 Å²	50	60.9 Å²	60.9	19%	0.189	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-77.3	130.8	174.2	-72.7	173.1	178.4	-118.4	1.3	110.6	G802 C803 G804 H805 P806 C807 Q831	R800-G802 VanDerWaalsContact C-N 3.28Å; R800-G802 PolarHBondContact O-N 2.93Å; R800-C803 PolarHBondContact O-N 2.8Å; R800-G804 PolarHBondContact O-N 2.82Å; R800-G804 VanDerWaalsContact O-N 3.11Å; R800-H805 VanDerWaalsContact CB-O 3.26Å; R800-H805 WeakPolarHBondContact CB-O 3.05Å; R800-H805 VanDerWaalsContact CG-O 3.25Å; R800-H805 WeakPolarHBondContact CG-O 3.45Å; R800-H805 PolarHBondContact N-O 3.1Å; R800-P806 PolarHBondContact NE-O 3.35Å; R800-C807 PolarHBondContact NH2-O 3.41Å; R800-Q831 PolarHBondContact NH1-O 3.02Å
801	P	66.8	Low	77.3	Confident	121 Å²	121	55.6 Å²	55.6	79%	0.786	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.3	-169.8	-30.6	35.7	0	0	0	117.6
802	G	65.6	Low	77.8	Confident	59 Å²	59	53.7 Å²	53.7	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-3.5	-176.2	0	0	0	0	0	116.3	R800	R800-G802 VanDerWaalsContact C-N 3.28Å; R800-G802 PolarHBondContact O-N 2.93Å
803	C	74.5	Confident	77.7	Confident	24 Å²	24	55 Å²	55	16%	0.162	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152	4	-172.2	67.4	0	0	0	0	116.2	R800 H805 C834	R800-C803 PolarHBondContact O-N 2.8Å; C803-H805 PolarHBondContact O-N 3.16Å; C803-H805 PolarHBondContact O-ND1 2.89Å; C803-C834 HydrophobicContact CB-CB 4.11Å
804	G	74.4	Confident	77.4	Confident	49 Å²	49	51.4 Å²	51.4	51%	0.505	32%	0.323	S	S	.	.			trans	72.8	-34	177.9	0	0	0	0	0	115.9	P799 R800	P799-G804 WeakPolarHBondContact CB-O 3.48Å; R800-G804 PolarHBondContact O-N 2.82Å; R800-G804 VanDerWaalsContact O-N 3.11Å
805	H	77.9	Confident	77.1	Confident	31 Å²	31	58 Å²	58	14%	0.144	35%	0.347	C	S	.	.			trans	-53.9	145	179.8	-58.4	106.1	0	0	0	112.6	R800 C803 C834 S887	R800-H805 VanDerWaalsContact CB-O 3.26Å; R800-H805 WeakPolarHBondContact CB-O 3.05Å; R800-H805 VanDerWaalsContact CG-O 3.25Å; R800-H805 WeakPolarHBondContact CG-O 3.45Å; R800-H805 PolarHBondContact N-O 3.1Å; C803-H805 PolarHBondContact O-N 3.16Å; C803-H805 PolarHBondContact O-ND1 2.89Å; H805-C834 PolarHBondContact ND1-SG 2.98Å; H805-S887 PolarHBondContact CD2-OG 2.94Å; H805-S887 PolarHBondContact NE2-OG 2.82Å
806	P	78.1	Confident	76.9	Confident	69 Å²	69	62 Å²	62	45%	0.448	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-65.5	158.1	-173	25.6	-34.8	0	0	0	114.2	K798 R800	K798-P806 CarbonylContact O-C 3.58Å; R800-P806 PolarHBondContact NE-O 3.35Å
807	C	78.8	Confident	76.6	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.027	37%	0.374	C	S	.	.			trans	-58.1	-58.7	178.2	178	0	0	0	0	111.8	C796 K798 R800 L809	C796-C807 HydrophobicContact CB-CB 4.23Å; K798-C807 WeakPolarHBondContact O-CB 3.43Å; K798-C807 PolarHBondContact O-N 2.91Å; R800-C807 PolarHBondContact NH2-O 3.41Å; C807-L809 VanDerWaalsContact C-N 3.32Å; C807-L809 PolarHBondContact O-N 2.85Å
808	G	78.2	Confident	76.4	Confident	51 Å²	51	59.6 Å²	59.6	53%	0.526	36%	0.358	S	S	.	.			trans	84.4	-11.5	177.2	0	0	0	0	0	116	C796	C796-G808 PolarHBondContact O-N 3.48Å; C796-G808 VanDerWaalsContact O-N 3.13Å
809	L	77.6	Confident	76.3	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.094	35%	0.347	C	S	.	.	S	Bend	trans	-67.4	158.5	173.1	-65.3	177	0	0	0	111.8	P795 C796 C807 A822 F823	P795-L809 CarbonylContact C-O 3.6Å; P795-L809 WeakPolarHBondContact CA-O 3.45Å; C796-L809 PolarHBondContact N-O 2.98Å; C807-L809 VanDerWaalsContact C-N 3.32Å; C807-L809 PolarHBondContact O-N 2.85Å; L809-A822 HydrophobicContact CD1-CB 3.56Å; L809-F823 HydrophobicContact CD1-CD1 3.81Å; L809-F823 HydrophobicContact CD1-CD2 4.12Å; L809-F823 HydrophobicContact CD1-CE1 3.73Å; L809-F823 HydrophobicContact CD1-CE2 4.04Å; L809-F823 HydrophobicContact CD1-CG 3.96Å; L809-F823 HydrophobicContact CD1-CZ 3.81Å; L809-F823 HydrophobicContact CD2-CD1 4.39Å; L809-F823 HydrophobicContact CD2-CE1 3.97Å; L809-F823 HydrophobicContact CG-CD1 4.33Å; L809-F823 HydrophobicContact CG-CE1 3.8Å; L809-F823 HydrophobicContact CG-CZ 3.86Å
810	P	79.3	Confident	76.2	Confident	73 Å²	73	57 Å²	57	47%	0.474	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-55	163.1	170.3	-23.8	34.6	0	0	0	112.9	H812	P810-H812 PolarHBondContact O-CD2 3.25Å; P810-H812 PolarHBondContact O-N 3.44Å
811	C	83.4	Confident	76.4	Confident	11 Å²	11	59 Å²	59	7%	0.074	36%	0.356	C	S	.	.			trans	-61.4	94.1	-175.4	-170.4	0	0	0	0	113	C765 H767 C792 Q794 E813	C765-C811 VanDerWaalsContact CB-SG 3.59Å; H767-C811 PolarHBondContact CE1-SG 3.32Å; H767-C811 PolarHBondContact ND1-SG 3.11Å; H767-C811 VanDerWaalsContact ND1-SG 3.38Å; C792-C811 HydrophobicContact CB-CB 4.02Å; C792-C811 WeakPolarHBondContact O-CB 3.38Å; Q794-C811 WeakPolarHBondContact O-CB 3.31Å; Q794-C811 PolarHBondContact O-N 2.92Å; C811-E813 VanDerWaalsContact C-N 3.3Å
812	H	81.5	Confident	76.7	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-84.5	-2.6	177	57	82.8	0	0	0	113	P810 V814 R815 N816 Q817 C819 A822	P810-H812 PolarHBondContact O-CD2 3.25Å; P810-H812 PolarHBondContact O-N 3.44Å; H812-V814 VanDerWaalsContact C-N 3.33Å; H812-V814 PolarHBondContact O-N 3.43Å; H812-R815 PolarHBondContact O-N 3.35Å; H812-R815 VanDerWaalsContact O-N 3.16Å; H812-N816 PolarHBondContact O-N 2.86Å; H812-Q817 HydrophobicContact CB-CB 4.27Å; H812-Q817 PolarHBondContact ND1-O 2.95Å; H812-Q817 PolarHBondContact O-N 2.82Å; H812-Q817 VanDerWaalsContact O-N 3.17Å; H812-C819 PolarHBondContact CE1-SG 2.87Å; H812-A822 HydrophobicContact CB-CB 3.88Å
813	E	79.1	Confident	77	Confident	33 Å²	33	51 Å²	51	15%	0.154	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62.6	-37.4	173.2	-58	-161.4	129.9	0	0	112.6	C765 S766 K798 C811 R815 N816	C765-E813 HydrophobicContact CB-CB 4.29Å; S766-E813 VanDerWaalsContact CB-OE2 3.31Å; S766-E813 WeakPolarHBondContact CB-OE2 3.33Å; S766-E813 PolarHBondContact N-OE2 3.5Å; S766-E813 VanDerWaalsContact OG-CD 3.32Å; S766-E813 PolarHBondContact OG-OE1 3.35Å; S766-E813 PolarHBondContact OG-OE2 3.07Å; K798-E813 WeakPolarHBondContact CE-OE1 3.17Å; K798-E813 IonicContact NZ-OE1 2.64Å; K798-E813 PolarHBondContact NZ-OE1 3.35Å; C811-E813 VanDerWaalsContact C-N 3.3Å; E813-R815 PolarHBondContact O-N 2.81Å; E813-R815 VanDerWaalsContact O-N 3.08Å; E813-N816 WeakPolarHBondContact O-CA 3.44Å; E813-N816 PolarHBondContact O-N 3.09Å
814	V	74.1	Confident	76.8	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.279	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65.2	-15.7	178.8	-159.9	0	0	0	0	111.8	C765 V791 C792 H812	C765-V814 HydrophobicContact CB-CG2 4.02Å; V791-V814 HydrophobicContact CB-CB 4.28Å; V791-V814 HydrophobicContact CB-CG1 3.87Å; V791-V814 HydrophobicContact CB-CG2 4.32Å; V791-V814 HydrophobicContact CG1-CB 4.44Å; V791-V814 HydrophobicContact CG1-CG1 3.63Å; C792-V814 HydrophobicContact CB-CG2 4.05Å; H812-V814 VanDerWaalsContact C-N 3.33Å; H812-V814 PolarHBondContact O-N 3.43Å
815	R	74.2	Confident	76.6	Confident	175 Å²	175	56.8 Å²	56.8	66%	0.66	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-102.8	5.4	173.9	-62.8	-178.5	175.2	178.3	-3.2	112.9	H812 E813 Q817	H812-R815 PolarHBondContact O-N 3.35Å; H812-R815 VanDerWaalsContact O-N 3.16Å; E813-R815 PolarHBondContact O-N 2.81Å; E813-R815 VanDerWaalsContact O-N 3.08Å; R815-Q817 HydrophobicContact CB-CG 4.01Å; R815-Q817 PolarHBondContact O-N 2.85Å
816	N	77.2	Confident	75.9	Confident	154 Å²	154	60.3 Å²	60.3	82%	0.824	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	23.4	-172.7	-71.8	-35.3	0	0	0	115.3	H812 E813	H812-N816 PolarHBondContact O-N 2.86Å; E813-N816 WeakPolarHBondContact O-CA 3.44Å; E813-N816 PolarHBondContact O-N 3.09Å
817	Q	76.8	Confident	75	Confident	49 Å²	49	60 Å²	60	23%	0.229	34%	0.339	C	S	.	.			trans	-86	141.2	-177.4	-65.6	178.9	-2.6	0	0	111.6	H812 R815 E821 N825	H812-Q817 HydrophobicContact CB-CB 4.27Å; H812-Q817 PolarHBondContact ND1-O 2.95Å; H812-Q817 PolarHBondContact O-N 2.82Å; H812-Q817 VanDerWaalsContact O-N 3.17Å; R815-Q817 HydrophobicContact CB-CG 4.01Å; R815-Q817 PolarHBondContact O-N 2.85Å; Q817-E821 VanDerWaalsContact CA-OE2 3.29Å; Q817-E821 WeakPolarHBondContact CA-OE2 3.46Å; Q817-E821 HydrophobicContact CB-CB 4.14Å; Q817-N825 PolarHBondContact NE2-ND2 2.57Å; Q817-N825 VanDerWaalsContact NE2-ND2 3.15Å; Q817-N825 PolarHBondContact OE1-ND2 2.87Å; Q817-N825 VanDerWaalsContact OE1-ND2 3.08Å
818	S	78.3	Confident	74.1	Confident	46 Å²	46	62.2 Å²	62.2	32%	0.322	35%	0.35	S	S	.	.			trans	-67.9	165.8	166.5	80.2	0	0	0	0	111.5	L820 E821 A822	S818-L820 PolarHBondContact O-N 2.95Å; S818-L820 PolarHBondContact OG-N 3.21Å; S818-E821 WeakPolarHBondContact CB-OE1 3.39Å; S818-E821 PolarHBondContact N-OE2 2.75Å; S818-E821 PolarHBondContact O-N 3.46Å; S818-E821 PolarHBondContact OG-N 2.97Å; S818-E821 PolarHBondContact OG-OE1 2.81Å; S818-A822 WeakPolarHBondContact O-CB 3.27Å; S818-A822 PolarHBondContact O-N 3.15Å
819	C	77.4	Confident	72.9	Confident	25 Å²	25	67.4 Å²	67.4	17%	0.169	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-34.4	176.1	-59.7	0	0	0	0	111.5	H812 A822 F823	H812-C819 PolarHBondContact CE1-SG 2.87Å; C819-A822 PolarHBondContact O-N 3.06Å; C819-F823 WeakPolarHBondContact O-CD2 3.48Å; C819-F823 PolarHBondContact O-N 3.28Å; C819-F823 VanDerWaalsContact O-N 3.1Å
820	L	73.6	Confident	71.8	Confident	100 Å²	100	71.3 Å²	71.3	52%	0.524	39%	0.39	S	S	.	.	H	α-helix	trans	-67.5	-48.3	177.5	-81.7	160.8	0	0	0	111.3	S818 A822 F823 V824	S818-L820 PolarHBondContact O-N 2.95Å; S818-L820 PolarHBondContact OG-N 3.21Å; L820-A822 VanDerWaalsContact C-N 3.26Å; L820-A822 PolarHBondContact O-N 3.19Å; L820-F823 PolarHBondContact O-N 3.14Å; L820-F823 VanDerWaalsContact O-N 3.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 2.92Å
821	E	78.1	Confident	70.8	Confident	92 Å²	92	72.3 Å²	72.3	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-57.9	-40.6	173.2	-72.4	138.5	-121.1	0	0	111.5	Q817 S818 F823 V824 N825	Q817-E821 VanDerWaalsContact CA-OE2 3.29Å; Q817-E821 WeakPolarHBondContact CA-OE2 3.46Å; Q817-E821 HydrophobicContact CB-CB 4.14Å; S818-E821 WeakPolarHBondContact CB-OE1 3.39Å; S818-E821 PolarHBondContact N-OE2 2.75Å; S818-E821 PolarHBondContact O-N 3.46Å; S818-E821 PolarHBondContact OG-N 2.97Å; S818-E821 PolarHBondContact OG-OE1 2.81Å; E821-F823 PolarHBondContact O-N 3.12Å; E821-V824 PolarHBondContact O-N 3.39Å; E821-N825 VanDerWaalsContact O-CB 3.26Å; E821-N825 WeakPolarHBondContact O-CB 3.5Å; E821-N825 PolarHBondContact O-N 3.02Å; E821-N825 PolarHBondContact O-ND2 3.4Å
822	A	73.5	Confident	69.8	Low	1 Å²	1	76.8 Å²	76.8	1%	0.008	41%	0.411	C	S	.	.	H	α-helix	trans	-63.1	-38.2	177.7	0	0	0	0	0	112.5	L809 H812 S818 C819 L820 H826	L809-A822 HydrophobicContact CD1-CB 3.56Å; H812-A822 HydrophobicContact CB-CB 3.88Å; S818-A822 WeakPolarHBondContact O-CB 3.27Å; S818-A822 PolarHBondContact O-N 3.15Å; C819-A822 PolarHBondContact O-N 3.06Å; L820-A822 VanDerWaalsContact C-N 3.26Å; L820-A822 PolarHBondContact O-N 3.19Å; A822-H826 WeakPolarHBondContact O-CB 3.33Å; A822-H826 PolarHBondContact O-CD2 2.86Å; A822-H826 VanDerWaalsContact O-CD2 3.26Å; A822-H826 PolarHBondContact O-N 3.39Å
823	F	70	Confident	69.2	Low	12 Å²	12	81.1 Å²	81.1	5%	0.053	43%	0.433	C	S	.	.	H	α-helix	trans	-66.9	-40.9	173	-78.9	-66	0	0	0	112.9	L809 C819 L820 E821 H826 G827 L828	L809-F823 HydrophobicContact CD1-CD1 3.81Å; L809-F823 HydrophobicContact CD1-CD2 4.12Å; L809-F823 HydrophobicContact CD1-CE1 3.73Å; L809-F823 HydrophobicContact CD1-CE2 4.04Å; L809-F823 HydrophobicContact CD1-CG 3.96Å; L809-F823 HydrophobicContact CD1-CZ 3.81Å; L809-F823 HydrophobicContact CD2-CD1 4.39Å; L809-F823 HydrophobicContact CD2-CE1 3.97Å; L809-F823 HydrophobicContact CG-CD1 4.33Å; L809-F823 HydrophobicContact CG-CE1 3.8Å; L809-F823 HydrophobicContact CG-CZ 3.86Å; C819-F823 WeakPolarHBondContact O-CD2 3.48Å; C819-F823 PolarHBondContact O-N 3.28Å; C819-F823 VanDerWaalsContact O-N 3.1Å; L820-F823 PolarHBondContact O-N 3.14Å; L820-F823 VanDerWaalsContact O-N 3.17Å; E821-F823 PolarHBondContact O-N 3.12Å; F823-H826 PolarHBondContact O-N 3.13Å; F823-G827 PolarHBondContact O-N 2.91Å; F823-L828 PolarHBondContact O-N 2.71Å
824	V	71.9	Confident	69	Low	95 Å²	95	80.3 Å²	80.3	58%	0.576	43%	0.431	S	S	*	.	H	α-helix	trans	-65.9	-47.6	177.3	174.7	0	0	0	0	111	L820 E821 H826 G827	L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 2.92Å; E821-V824 PolarHBondContact O-N 3.39Å; V824-H826 PolarHBondContact O-N 3.17Å; V824-G827 PolarHBondContact O-N 2.65Å
825	N	68.6	Low	69.1	Low	99 Å²	99	83.1 Å²	83.1	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-19.7	178.9	-70.3	-35	0	0	0	113.6	Q817 E821	Q817-N825 PolarHBondContact NE2-ND2 2.57Å; Q817-N825 VanDerWaalsContact NE2-ND2 3.15Å; Q817-N825 PolarHBondContact OE1-ND2 2.87Å; Q817-N825 VanDerWaalsContact OE1-ND2 3.08Å; E821-N825 VanDerWaalsContact O-CB 3.26Å; E821-N825 WeakPolarHBondContact O-CB 3.5Å; E821-N825 PolarHBondContact O-N 3.02Å; E821-N825 PolarHBondContact O-ND2 3.4Å
826	H	65	Low	69.3	Low	104 Å²	104	76.3 Å²	76.3	48%	0.481	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.7	172	-85.7	-70.5	0	0	0	114	A822 F823 V824 L828	A822-H826 WeakPolarHBondContact O-CB 3.33Å; A822-H826 PolarHBondContact O-CD2 2.86Å; A822-H826 VanDerWaalsContact O-CD2 3.26Å; A822-H826 PolarHBondContact O-N 3.39Å; F823-H826 PolarHBondContact O-N 3.13Å; V824-H826 PolarHBondContact O-N 3.17Å; H826-L828 HydrophobicContact CB-CD1 4.22Å
827	G	58.8	Low	69.5	Low	62 Å²	62	74.9 Å²	74.9	64%	0.639	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	28	175.1	0	0	0	0	0	114.6	F823 V824	F823-G827 PolarHBondContact O-N 2.91Å; V824-G827 PolarHBondContact O-N 2.65Å
828	L	58.7	Low	69.8	Low	52 Å²	52	73.1 Å²	73.1	27%	0.272	41%	0.414	S	S	.	.			trans	-116.1	49.9	-169	-70.6	170.6	0	0	0	113.1	F823 H826 S830 Q831	F823-L828 PolarHBondContact O-N 2.71Å; H826-L828 HydrophobicContact CB-CD1 4.22Å; L828-S830 PolarHBondContact O-N 3.07Å; L828-Q831 HydrophobicContact CB-CB 4.18Å; L828-Q831 HydrophobicContact CB-CG 4.16Å; L828-Q831 HydrophobicContact CD2-CG 4.24Å; L828-Q831 PolarHBondContact O-N 3.11Å
829	E	54.4	Low	70	Confident	160 Å²	160	73.3 Å²	73.3	75%	0.748	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-54.3	-34.4	177.2	-61.5	-175	136.6	0	0	112.8	Q831 L832	E829-Q831 PolarHBondContact O-N 2.75Å; E829-L832 WeakPolarHBondContact O-CD1 3.35Å; E829-L832 PolarHBondContact O-N 3.32Å
830	S	53.9	Low	70.2	Confident	100 Å²	100	72.1 Å²	72.1	70%	0.699	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-71.4	-9	176.3	54.8	0	0	0	0	114.7	L828	L828-S830 PolarHBondContact O-N 3.07Å
831	Q	57.8	Low	70.8	Confident	93 Å²	93	68.3 Å²	68.3	44%	0.435	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-100	11.3	177.4	-61.6	-166.2	4	0	0	114.6	R800 L828 E829 I833	R800-Q831 PolarHBondContact NH1-O 3.02Å; L828-Q831 HydrophobicContact CB-CB 4.18Å; L828-Q831 HydrophobicContact CB-CG 4.16Å; L828-Q831 HydrophobicContact CD2-CG 4.24Å; L828-Q831 PolarHBondContact O-N 3.11Å; E829-Q831 PolarHBondContact O-N 2.75Å; Q831-I833 PolarHBondContact O-N 2.97Å
832	L	62.7	Low	71.2	Confident	105 Å²	105	64 Å²	64	55%	0.55	36%	0.364	S	S	.	.	S	Bend	trans	-64.1	-30.4	166.2	-87	84.6	0	0	0	111.9	E829 C834	E829-L832 WeakPolarHBondContact O-CD1 3.35Å; E829-L832 PolarHBondContact O-N 3.32Å; L832-C834 PolarHBondContact O-N 3.44Å
833	I	68.3	Low	71.4	Confident	100 Å²	100	74.3 Å²	74.3	51%	0.513	40%	0.403	S	S	.	.	S	Bend	trans	-69	128.3	179	-54.4	177	0	0	0	110.4	Q831 T835 H854	Q831-I833 PolarHBondContact O-N 2.97Å; I833-T835 PolarHBondContact O-N 2.86Å; I833-H854 HydrophobicContact CG2-CB 3.83Å
834	C	75.2	Confident	71.8	Confident	16 Å²	16	76 Å²	76	11%	0.108	42%	0.415	C	S	.	.			trans	-76.9	118.8	175.6	-168.8	0	0	0	0	111.7	C803 H805 L832 C853	C803-C834 HydrophobicContact CB-CB 4.11Å; H805-C834 PolarHBondContact ND1-SG 2.98Å; L832-C834 PolarHBondContact O-N 3.44Å; C834-C853 HydrophobicContact CB-CB 4.09Å
835	T	77.5	Confident	72.1	Confident	106 Å²	106	74 Å²	74	65%	0.65	41%	0.414	S	S	*	.			trans	-96.9	5	178.8	51.3	0	0	0	0	113.9	I833	I833-T835 PolarHBondContact O-N 2.86Å
836	A	76.9	Confident	72.5	Confident	31 Å²	31	74.6 Å²	74.6	26%	0.256	41%	0.412	S	S	.	.			trans	-57.9	143.2	175.4	0	0	0	0	0	111.3	C853	A836-C853 WeakPolarHBondContact O-CB 3.41Å; A836-C853 PolarHBondContact O-N 3.35Å
837	L	82.7	Confident	73.2	Confident	125 Å²	125	72.2 Å²	72.2	65%	0.654	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.7	175.2	-64	175.3	0	0	0	109.7	Q852	L837-Q852 HydrophobicContact CD2-CG 4.02Å
838	V	81.7	Confident	74.4	Confident	12 Å²	12	75.5 Å²	75.5	7%	0.073	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.8	-179.7	-165.3	0	0	0	0	109	S850 Q851 C853 I891	V838-S850 WeakPolarHBondContact O-CA 3.19Å; V838-Q851 PolarHBondContact N-O 3.06Å; V838-Q851 PolarHBondContact O-N 3.35Å; V838-C853 HydrophobicContact CG2-CB 3.92Å; V838-I891 HydrophobicContact CG1-CD1 3.53Å; V838-I891 HydrophobicContact CG1-CG1 4.3Å
839	D	83	Confident	75.6	Confident	49 Å²	49	78 Å²	78	26%	0.262	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.3	-177.8	-82.9	-37.1	0	0	0	112.5	K848 S850 P890 I891	D839-K848 VanDerWaalsContact CG-NZ 3.28Å; D839-K848 WeakPolarHBondContact OD1-CE 3.49Å; D839-K848 IonicContact OD1-NZ 3.9Å; D839-K848 WeakPolarHBondContact OD2-CE 3.31Å; D839-K848 IonicContact OD2-NZ 2.72Å; D839-K848 PolarHBondContact OD2-NZ 3.44Å; D839-S850 WeakPolarHBondContact OD1-CB 3.29Å; D839-S850 PolarHBondContact OD1-OG 2.84Å; D839-P890 HydrophobicContact CB-CB 4.31Å; D839-P890 WeakPolarHBondContact O-CA 3.37Å; D839-I891 PolarHBondContact O-N 3.35Å
840	V	82.6	Confident	77.1	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.006	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.4	-173.9	-160.6	0	0	0	0	108.9	K848 Q849 Q851 V856 I891 L893 L894	V840-K848 CarbonylContact O-C 3.55Å; V840-K848 VanDerWaalsContact O-CA 3.32Å; V840-K848 WeakPolarHBondContact O-CA 3.35Å; V840-Q849 WeakPolarHBondContact CA-O 3.23Å; V840-Q849 WeakPolarHBondContact CB-O 3.49Å; V840-Q849 WeakPolarHBondContact CG2-O 3.43Å; V840-Q849 PolarHBondContact N-O 2.74Å; V840-Q849 PolarHBondContact O-N 3.02Å; V840-Q851 HydrophobicContact CG2-CB 4.12Å; V840-Q851 HydrophobicContact CG2-CG 4.18Å; V840-V856 HydrophobicContact CG2-CG2 3.94Å; V840-I891 CarbonylContact C-O 3.59Å; V840-I891 VanDerWaalsContact CA-O 3.29Å; V840-I891 WeakPolarHBondContact CA-O 3.46Å; V840-I891 VanDerWaalsContact CG1-O 3.28Å; V840-I891 WeakPolarHBondContact CG1-O 3.45Å; V840-L893 HydrophobicContact CG1-CB 3.58Å; V840-L893 HydrophobicContact CG1-CD1 4.06Å; V840-L893 HydrophobicContact CG1-CG 4.26Å; V840-L894 VanDerWaalsContact C-CD1 3.46Å; V840-L894 HydrophobicContact CB-CD1 4Å; V840-L894 HydrophobicContact CG1-CD1 3.79Å; V840-L894 WeakPolarHBondContact O-CD1 3.04Å
841	V	85.5	Confident	78.4	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163.4	-172.4	-70.3	0	0	0	0	114.9	L847 K848 P890 I891 P892 L893 L894	V841-L847 CarbonylContact C-O 3.58Å; V841-L847 VanDerWaalsContact CA-O 3.26Å; V841-L847 WeakPolarHBondContact CA-O 3.17Å; V841-K848 HydrophobicContact CG1-CB 4.04Å; V841-K848 HydrophobicContact CG1-CG 3.95Å; V841-P890 HydrophobicContact CB-CB 4.36Å; V841-P890 HydrophobicContact CG1-CB 3.63Å; V841-P890 HydrophobicContact CG1-CG 4.37Å; V841-P890 HydrophobicContact CG2-CB 3.83Å; V841-P890 HydrophobicContact CG2-CG 4.29Å; V841-I891 PolarHBondContact N-O 3.48Å; V841-P892 HydrophobicContact CG2-CB 4.4Å; V841-P892 CarbonylContact O-C 3.47Å; V841-P892 VanDerWaalsContact O-CA 3.29Å; V841-P892 WeakPolarHBondContact O-CA 3.28Å; V841-L893 PolarHBondContact O-N 3.47Å; V841-L893 VanDerWaalsContact O-N 3.09Å; V841-L894 PolarHBondContact O-N 2.72Å
842	C	86	Confident	79.7	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.02	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	150.6	165.6	-177.4	0	0	0	0	111.8	C844 G845 L847 L894 C896	C842-C844 HydrophobicContact CB-CB 4.27Å; C842-C844 WeakPolarHBondContact CB-SG 3.29Å; C842-C844 PolarHBondContact O-N 2.84Å; C842-C844 VanDerWaalsContact O-N 3.09Å; C842-C844 WeakPolarHBondContact SG-CB 3.43Å; C842-C844 PolarHBondContact SG-N 3.38Å; C842-C844 CovalentContact SG-SG 2.05Å; C842-C844 PolarHBondContact SG-SG 3.25Å; C842-G845 PolarHBondContact O-N 3.49Å; C842-L847 HydrophobicContact CB-CB 3.97Å; C842-L847 HydrophobicContact CB-CG 4.38Å; C842-L847 PolarHBondContact N-O 3.4Å; C842-L894 WeakPolarHBondContact CA-O 3.31Å; C842-C896 PolarHBondContact SG-SG 3.23Å
843	R	78.5	Confident	80.6	Confident	217 Å²	217	65 Å²	65	82%	0.819	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.1	164.1	-72.1	-170.8	177.2	-164	-0.5	113
844	C	77.4	Confident	81.2	Confident	47 Å²	47	63.9 Å²	63.9	32%	0.318	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.4	175.9	69.1	0	0	0	0	115.6	C842 K846 C900	C842-C844 HydrophobicContact CB-CB 4.27Å; C842-C844 WeakPolarHBondContact CB-SG 3.29Å; C842-C844 PolarHBondContact O-N 2.84Å; C842-C844 VanDerWaalsContact O-N 3.09Å; C842-C844 WeakPolarHBondContact SG-CB 3.43Å; C842-C844 PolarHBondContact SG-N 3.38Å; C842-C844 CovalentContact SG-SG 2.05Å; C842-C844 PolarHBondContact SG-SG 3.25Å; C844-K846 PolarHBondContact O-N 2.75Å; C844-K846 PolarHBondContact SG-N 2.93Å; C844-C900 HydrophobicContact CB-CB 4.32Å; C844-C900 PolarHBondContact SG-SG 3.07Å
845	G	77.9	Confident	81.5	Confident	53 Å²	53	67.1 Å²	67.1	55%	0.546	35%	0.351	S	S	.	.	S	Bend	trans	68.6	-19.5	-173.7	0	0	0	0	0	116.9	C842 L847	C842-G845 PolarHBondContact O-N 3.49Å; G845-L847 PolarHBondContact O-N 3.05Å
846	K	78.8	Confident	81.7	Confident	111 Å²	111	62.2 Å²	62.2	48%	0.483	32%	0.321	S	S	.	.	S	Bend	trans	-66.1	-30	-174	-68.9	171.7	168.6	178.4	0	115	C844 S899 C900	C844-K846 PolarHBondContact O-N 2.75Å; C844-K846 PolarHBondContact SG-N 2.93Å; K846-S899 PolarHBondContact NZ-O 3.3Å; K846-C900 PolarHBondContact NZ-O 3.25Å
847	L	79.1	Confident	81.7	Confident	54 Å²	54	65.9 Å²	65.9	28%	0.283	33%	0.329	S	S	.	.			trans	-105	137.4	176	-51	174	0	0	0	110.2	V841 C842 G845 L894	V841-L847 CarbonylContact C-O 3.58Å; V841-L847 VanDerWaalsContact CA-O 3.26Å; V841-L847 WeakPolarHBondContact CA-O 3.17Å; C842-L847 HydrophobicContact CB-CB 3.97Å; C842-L847 HydrophobicContact CB-CG 4.38Å; C842-L847 PolarHBondContact N-O 3.4Å; G845-L847 PolarHBondContact O-N 3.05Å; L847-L894 HydrophobicContact CB-CD2 4.33Å
848	K	84.4	Confident	81.4	Confident	131 Å²	131	62.3 Å²	62.3	57%	0.57	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	139.3	177.9	-176.6	-179.6	178.8	-177.4	0	110.8	D839 V840 V841	D839-K848 VanDerWaalsContact CG-NZ 3.28Å; D839-K848 WeakPolarHBondContact OD1-CE 3.49Å; D839-K848 IonicContact OD1-NZ 3.9Å; D839-K848 WeakPolarHBondContact OD2-CE 3.31Å; D839-K848 IonicContact OD2-NZ 2.72Å; D839-K848 PolarHBondContact OD2-NZ 3.44Å; V840-K848 CarbonylContact O-C 3.55Å; V840-K848 VanDerWaalsContact O-CA 3.32Å; V840-K848 WeakPolarHBondContact O-CA 3.35Å; V841-K848 HydrophobicContact CG1-CB 4.04Å; V841-K848 HydrophobicContact CG1-CG 3.95Å
849	Q	82.6	Confident	81.2	Confident	104 Å²	104	66.3 Å²	66.3	49%	0.486	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.9	175.7	-170.9	-175	40.5	0	0	110.1	V840 L894	V840-Q849 WeakPolarHBondContact CA-O 3.23Å; V840-Q849 WeakPolarHBondContact CB-O 3.49Å; V840-Q849 WeakPolarHBondContact CG2-O 3.43Å; V840-Q849 PolarHBondContact N-O 2.74Å; V840-Q849 PolarHBondContact O-N 3.02Å; Q849-L894 HydrophobicContact CB-CD1 4.48Å
850	S	86.4	Confident	80.6	Confident	70 Å²	70	65.7 Å²	65.7	49%	0.49	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.7	175.8	-40.9	0	0	0	0	111	V838 D839	V838-S850 WeakPolarHBondContact O-CA 3.19Å; D839-S850 WeakPolarHBondContact OD1-CB 3.29Å; D839-S850 PolarHBondContact OD1-OG 2.84Å
851	Q	81.1	Confident	80.2	Confident	21 Å²	21	71.5 Å²	71.5	10%	0.098	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.1	-179.7	-65.9	176.4	31.9	0	0	110.3	V838 V840 V856	V838-Q851 PolarHBondContact N-O 3.06Å; V838-Q851 PolarHBondContact O-N 3.35Å; V840-Q851 HydrophobicContact CG2-CB 4.12Å; V840-Q851 HydrophobicContact CG2-CG 4.18Å; Q851-V856 HydrophobicContact CB-CG2 3.76Å
852	Q	84.7	Confident	79.8	Confident	72 Å²	72	75.9 Å²	75.9	34%	0.336	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.8	179.7	-65.6	177.7	-9.9	0	0	111.2	L837 H854 Q855 V856	L837-Q852 HydrophobicContact CD2-CG 4.02Å; Q852-H854 VanDerWaalsContact C-N 3.31Å; Q852-H854 PolarHBondContact O-N 2.93Å; Q852-H854 VanDerWaalsContact O-N 3.16Å; Q852-H854 PolarHBondContact OE1-NE2 2.92Å; Q852-Q855 HydrophobicContact CB-CG 4.06Å; Q852-Q855 VanDerWaalsContact N-OE1 3.07Å; Q852-Q855 WeakPolarHBondContact O-CA 3.46Å; Q852-Q855 WeakPolarHBondContact O-CB 3.43Å; Q852-Q855 PolarHBondContact O-N 3.44Å; Q852-V856 PolarHBondContact O-N 3.5Å; Q852-V856 VanDerWaalsContact O-N 3.09Å
853	C	81.7	Confident	79.1	Confident	22 Å²	22	79.9 Å²	79.9	15%	0.149	40%	0.395	C	S	.	.	H	α-helix	trans	-48.5	-46.5	-175.2	-179.6	0	0	0	0	113.5	C834 A836 V838 Q855 V856 Y857	C834-C853 HydrophobicContact CB-CB 4.09Å; A836-C853 WeakPolarHBondContact O-CB 3.41Å; A836-C853 PolarHBondContact O-N 3.35Å; V838-C853 HydrophobicContact CG2-CB 3.92Å; C853-Q855 PolarHBondContact O-N 3.32Å; C853-V856 PolarHBondContact O-N 3.15Å; C853-Y857 PolarHBondContact O-N 2.93Å
854	H	81.9	Confident	78.6	Confident	77 Å²	77	71.3 Å²	71.3	36%	0.356	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-34	176.9	71.3	92.9	0	0	0	114.1	I833 Q852 A858	I833-H854 HydrophobicContact CG2-CB 3.83Å; Q852-H854 VanDerWaalsContact C-N 3.31Å; Q852-H854 PolarHBondContact O-N 2.93Å; Q852-H854 VanDerWaalsContact O-N 3.16Å; Q852-H854 PolarHBondContact OE1-NE2 2.92Å; H854-A858 WeakPolarHBondContact O-CB 3.37Å; H854-A858 PolarHBondContact O-N 3.39Å
855	Q	81.8	Confident	78.4	Confident	84 Å²	84	73 Å²	73	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-69.1	-37	176.8	-59.9	173	-25.4	0	0	111.5	Q852 C853 K859	Q852-Q855 HydrophobicContact CB-CG 4.06Å; Q852-Q855 VanDerWaalsContact N-OE1 3.07Å; Q852-Q855 WeakPolarHBondContact O-CA 3.46Å; Q852-Q855 WeakPolarHBondContact O-CB 3.43Å; Q852-Q855 PolarHBondContact O-N 3.44Å; C853-Q855 PolarHBondContact O-N 3.32Å; Q855-K859 WeakPolarHBondContact O-CG 3.21Å; Q855-K859 PolarHBondContact O-N 2.05Å
856	V	81.8	Confident	77.9	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.024	37%	0.368	C	S	.	.	H	α-helix	trans	-70	-44.6	176.7	-179.9	0	0	0	0	110.5	V840 Q851 Q852 C853 A858 K859 Q860 I891 L893	V840-V856 HydrophobicContact CG2-CG2 3.94Å; Q851-V856 HydrophobicContact CB-CG2 3.76Å; Q852-V856 PolarHBondContact O-N 3.5Å; Q852-V856 VanDerWaalsContact O-N 3.09Å; C853-V856 PolarHBondContact O-N 3.15Å; V856-A858 PolarHBondContact O-N 3.34Å; V856-K859 PolarHBondContact O-N 3.17Å; V856-K859 VanDerWaalsContact O-N 3.16Å; V856-Q860 PolarHBondContact O-N 3.05Å; V856-I891 HydrophobicContact CG1-CD1 3.76Å; V856-I891 HydrophobicContact CG1-CG2 4.45Å; V856-L893 HydrophobicContact CG1-CD1 3.75Å
857	Y	75.4	Confident	77.3	Confident	107 Å²	107	76 Å²	76	42%	0.42	37%	0.369	S	S	.	.	H	α-helix	trans	-55.8	-48.1	175.2	-170	-79.6	0	0	0	111.7	C853 K859 Q860 Y861 F882	C853-Y857 PolarHBondContact O-N 2.93Å; Y857-K859 VanDerWaalsContact C-N 3.31Å; Y857-K859 PolarHBondContact O-N 3.3Å; Y857-Q860 PolarHBondContact O-N 2.84Å; Y857-Y861 PolarHBondContact O-N 3.07Å; Y857-Y861 VanDerWaalsContact O-N 3.08Å; Y857-F882 AromaticContact CD2-CD1 3.78Å; Y857-F882 HydrophobicContact CD2-CD1 3.78Å; Y857-F882 AromaticContact CD2-CE1 3.82Å; Y857-F882 HydrophobicContact CD2-CE1 3.82Å; Y857-F882 HydrophobicContact CE1-CE1 4.49Å; Y857-F882 HydrophobicContact CE1-CZ 4.49Å; Y857-F882 HydrophobicContact CE2-CB 4.4Å; Y857-F882 AromaticContact CE2-CD1 3.3Å; Y857-F882 HydrophobicContact CE2-CD1 3.3Å; Y857-F882 HydrophobicContact CE2-CD2 4.26Å; Y857-F882 AromaticContact CE2-CE1 3.46Å; Y857-F882 HydrophobicContact CE2-CE1 3.46Å; Y857-F882 VanDerWaalsContact CE2-CE1 3.46Å; Y857-F882 HydrophobicContact CE2-CE2 4.39Å; Y857-F882 AromaticContact CE2-CG 3.74Å; Y857-F882 HydrophobicContact CE2-CG 3.74Å; Y857-F882 HydrophobicContact CE2-CZ 4.02Å; Y857-F882 HydrophobicContact CG-CE1 4.48Å; Y857-F882 AromaticContact CZ-CE1 3.82Å; Y857-F882 AromaticContact CZ-CZ 3.9Å
858	A	77.5	Confident	76.6	Confident	50 Å²	50	79.7 Å²	79.7	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-60.1	-37.8	177.3	0	0	0	0	0	113	H854 V856 L862	H854-A858 WeakPolarHBondContact O-CB 3.37Å; H854-A858 PolarHBondContact O-N 3.39Å; V856-A858 PolarHBondContact O-N 3.34Å; A858-L862 WeakPolarHBondContact O-CG 3.39Å; A858-L862 PolarHBondContact O-N 2.81Å
859	K	76	Confident	75.9	Confident	97 Å²	97	79.9 Å²	79.9	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-70.7	-36.9	175.8	-75.4	178.2	179.7	175.2	0	113.3	Q855 V856 Y857 Y861 L863	Q855-K859 WeakPolarHBondContact O-CG 3.21Å; Q855-K859 PolarHBondContact O-N 2.05Å; V856-K859 PolarHBondContact O-N 3.17Å; V856-K859 VanDerWaalsContact O-N 3.16Å; Y857-K859 VanDerWaalsContact C-N 3.31Å; Y857-K859 PolarHBondContact O-N 3.3Å; K859-Y861 VanDerWaalsContact C-N 3.34Å; K859-L863 WeakPolarHBondContact O-CG 3.33Å; K859-L863 PolarHBondContact O-N 2.62Å
860	Q	71.8	Confident	74.9	Confident	36 Å²	36	80 Å²	80	17%	0.168	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-41	174.6	-71.3	-167.8	-71.6	0	0	111.4	V856 Y857 L863 L864 H885 L893	V856-Q860 PolarHBondContact O-N 3.05Å; Y857-Q860 PolarHBondContact O-N 2.84Å; Q860-L863 PolarHBondContact O-N 2.66Å; Q860-L864 WeakPolarHBondContact O-CG 3.39Å; Q860-L864 PolarHBondContact O-N 3.09Å; Q860-H885 PolarHBondContact NE2-NE2 3.37Å; Q860-H885 PolarHBondContact OE1-NE2 2.86Å; Q860-L893 HydrophobicContact CG-CD1 4.04Å; Q860-L893 HydrophobicContact CG-CD2 4.18Å
861	Y	74.8	Confident	73.4	Confident	123 Å²	123	80.7 Å²	80.7	48%	0.482	40%	0.399	S	S	.	.	H	α-helix	trans	-59	-50.9	177.7	-168.6	-93.7	0	0	0	112.4	Y857 K859 L863 L864 E865	Y857-Y861 PolarHBondContact O-N 3.07Å; Y857-Y861 VanDerWaalsContact O-N 3.08Å; K859-Y861 VanDerWaalsContact C-N 3.34Å; Y861-L863 VanDerWaalsContact C-N 3.26Å; Y861-L863 PolarHBondContact O-N 3.3Å; Y861-L864 PolarHBondContact O-N 2.75Å; Y861-L864 VanDerWaalsContact O-N 3.14Å; Y861-E865 HydrophobicContact CD1-CG 4.23Å; Y861-E865 VanDerWaalsContact CE1-CD 3.4Å; Y861-E865 HydrophobicContact CE1-CG 3.98Å; Y861-E865 WeakPolarHBondContact CE1-OE1 3.3Å; Y861-E865 PolarHBondContact O-N 2.93Å
862	L	76.8	Confident	72.1	Confident	111 Å²	111	83.3 Å²	83.3	58%	0.581	43%	0.432	S	S	*	.	H	α-helix	trans	-61.9	-29.9	-179.8	-68.7	169.4	0	0	0	113.6	A858 H866	A858-L862 WeakPolarHBondContact O-CG 3.39Å; A858-L862 PolarHBondContact O-N 2.81Å; L862-H866 PolarHBondContact O-N 2.91Å; L862-H866 VanDerWaalsContact O-N 3.17Å
863	L	70.1	Confident	70.2	Confident	86 Å²	86	83.4 Å²	83.4	45%	0.45	45%	0.445	S	S	.	.	H	α-helix	trans	-73.4	-40.3	175.2	-72.7	168.9	0	0	0	112	K859 Q860 Y861 E865 H866 E867 L893	K859-L863 WeakPolarHBondContact O-CG 3.33Å; K859-L863 PolarHBondContact O-N 2.62Å; Q860-L863 PolarHBondContact O-N 2.66Å; Y861-L863 VanDerWaalsContact C-N 3.26Å; Y861-L863 PolarHBondContact O-N 3.3Å; L863-E865 VanDerWaalsContact C-N 3.29Å; L863-E865 PolarHBondContact O-N 2.93Å; L863-H866 PolarHBondContact O-N 2.99Å; L863-H866 VanDerWaalsContact O-N 3.13Å; L863-E867 WeakPolarHBondContact O-CG 3.41Å; L863-E867 PolarHBondContact O-N 3.23Å; L863-L893 HydrophobicContact CD1-CD2 3.31Å
864	L	68.7	Low	68.2	Low	37 Å²	37	88 Å²	88	19%	0.194	48%	0.477	C	S	.	.	H	α-helix	trans	-63.1	-35.5	174.6	-68.9	164.5	0	0	0	111.8	Q860 Y861 R868 I878 L881	Q860-L864 WeakPolarHBondContact O-CG 3.39Å; Q860-L864 PolarHBondContact O-N 3.09Å; Y861-L864 PolarHBondContact O-N 2.75Å; Y861-L864 VanDerWaalsContact O-N 3.14Å; L864-R868 PolarHBondContact O-N 2.84Å; L864-I878 HydrophobicContact CD1-CG2 4.31Å; L864-I878 HydrophobicContact CD2-CG2 4.45Å; L864-L881 HydrophobicContact CD1-CD1 4.29Å; L864-L881 HydrophobicContact CD2-CD1 4.01Å
865	E	72.4	Confident	66.1	Low	82 Å²	82	88.8 Å²	88.8	38%	0.383	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-37.9	171.5	-68.9	-171.7	123.6	0	0	112.7	Y861 L863 R868 N869	Y861-E865 HydrophobicContact CD1-CG 4.23Å; Y861-E865 VanDerWaalsContact CE1-CD 3.4Å; Y861-E865 HydrophobicContact CE1-CG 3.98Å; Y861-E865 WeakPolarHBondContact CE1-OE1 3.3Å; Y861-E865 PolarHBondContact O-N 2.93Å; L863-E865 VanDerWaalsContact C-N 3.29Å; L863-E865 PolarHBondContact O-N 2.93Å; E865-R868 WeakPolarHBondContact O-CB 3.15Å; E865-N869 VanDerWaalsContact O-CG 3.32Å; E865-N869 PolarHBondContact O-N 3.09Å; E865-N869 PolarHBondContact O-ND2 3.07Å
866	H	68	Low	64.3	Low	120 Å²	120	90.6 Å²	90.6	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-68.9	-41.3	175	-169.4	-72.7	0	0	0	112.1	L862 L863 R868 N869 V870	L862-H866 PolarHBondContact O-N 2.91Å; L862-H866 VanDerWaalsContact O-N 3.17Å; L863-H866 PolarHBondContact O-N 2.99Å; L863-H866 VanDerWaalsContact O-N 3.13Å; H866-R868 VanDerWaalsContact C-N 3.34Å; H866-R868 PolarHBondContact O-N 2.85Å; H866-N869 PolarHBondContact O-N 3.02Å; H866-N869 VanDerWaalsContact O-N 3.16Å; H866-V870 PolarHBondContact O-N 3.31Å
867	E	66	Low	62.2	Low	108 Å²	108	96.7 Å²	96.7	51%	0.505	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-36.5	177.7	-72.8	179	166	0	0	112.2	L863 N869 V870 S871	L863-E867 WeakPolarHBondContact O-CG 3.41Å; L863-E867 PolarHBondContact O-N 3.23Å; E867-N869 VanDerWaalsContact C-N 3.33Å; E867-N869 PolarHBondContact O-N 2.97Å; E867-V870 PolarHBondContact O-N 3.45Å; E867-S871 WeakPolarHBondContact O-CB 3.42Å; E867-S871 PolarHBondContact O-N 2.79Å; E867-S871 VanDerWaalsContact O-N 3.11Å; E867-S871 PolarHBondContact O-OG 2.8Å; E867-S871 VanDerWaalsContact O-OG 3.05Å
868	R	64.1	Low	60.4	Low	132 Å²	132	95.2 Å²	95.2	50%	0.498	53%	0.532	S	S	.	.	H	α-helix	trans	-54.7	-45.1	168.6	-90	-178.4	57.3	149.3	0.2	112.7	L864 E865 H866 V870 L875 I878	L864-R868 PolarHBondContact O-N 2.84Å; E865-R868 WeakPolarHBondContact O-CB 3.15Å; H866-R868 VanDerWaalsContact C-N 3.34Å; H866-R868 PolarHBondContact O-N 2.85Å; R868-V870 VanDerWaalsContact C-N 3.35Å; R868-V870 PolarHBondContact O-N 2.89Å; R868-L875 HydrophobicContact CG-CD2 4.29Å; R868-I878 HydrophobicContact CG-CD1 4.07Å
869	N	69.9	Low	58.3	Low	135 Å²	135	100.6 Å²	100.6	72%	0.722	55%	0.548	S	S	*	.	H	α-helix	trans	-75.9	-21.5	-173.2	-68.6	-20	0	0	0	113.6	E865 H866 E867	E865-N869 VanDerWaalsContact O-CG 3.32Å; E865-N869 PolarHBondContact O-N 3.09Å; E865-N869 PolarHBondContact O-ND2 3.07Å; H866-N869 PolarHBondContact O-N 3.02Å; H866-N869 VanDerWaalsContact O-N 3.16Å; E867-N869 VanDerWaalsContact C-N 3.33Å; E867-N869 PolarHBondContact O-N 2.97Å
870	V	61.3	Low	56.5	Low	106 Å²	106	100.1 Å²	100.1	64%	0.642	55%	0.554	S	S	*	*	H	α-helix	trans	-94.1	-36.7	179.9	176.7	0	0	0	0	112.5	H866 E867 R868	H866-V870 PolarHBondContact O-N 3.31Å; E867-V870 PolarHBondContact O-N 3.45Å; R868-V870 VanDerWaalsContact C-N 3.35Å; R868-V870 PolarHBondContact O-N 2.89Å
871	S	56.4	Low	54.8	Low	85 Å²	85	103.5 Å²	103.5	59%	0.594	57%	0.573	S	S	*	*	H	α-helix	trans	-96.7	-9.3	-163.2	-50.3	0	0	0	0	115.5	E867 A873	E867-S871 WeakPolarHBondContact O-CB 3.42Å; E867-S871 PolarHBondContact O-N 2.79Å; E867-S871 VanDerWaalsContact O-N 3.11Å; E867-S871 PolarHBondContact O-OG 2.8Å; E867-S871 VanDerWaalsContact O-OG 3.05Å; S871-A873 PolarHBondContact O-N 3.24Å
872	G	52.5	Low	53.3	Low	75 Å²	75	100.1 Å²	100.1	77%	0.773	56%	0.561	S	S	*	*			trans	63.2	8.9	175.7	0	0	0	0	0	116.4
873	A	44.9	Very low	51.8	Low	75 Å²	75	100.3 Å²	100.3	62%	0.62	57%	0.567	S	S	*	*			trans	-78.7	143	-175.2	0	0	0	0	0	112.5	S871	S871-A873 PolarHBondContact O-N 3.24Å
874	S	40	Very low	50.4	Low	118 Å²	118	104.6 Å²	104.6	83%	0.825	59%	0.585	S	S	*	*			trans	-76.2	163.1	-179.1	-162.4	0	0	0	0	113
875	L	38.8	Very low	49.4	Very low	94 Å²	94	106.5 Å²	106.5	49%	0.492	59%	0.593	S	S	.	*	S	Bend	trans	-99.8	96.7	-164.5	-63.2	169.4	0	0	0	112.9	R868 I878	R868-L875 HydrophobicContact CG-CD2 4.29Å; L875-I878 HydrophobicContact CD2-CD1 3.57Å; L875-I878 HydrophobicContact CD2-CG1 4.45Å
876	T	43.3	Very low	48.4	Very low	121 Å²	121	105.9 Å²	105.9	74%	0.742	59%	0.592	S	S	*	*	S	Bend	trans	-128.3	-31.4	167.4	39.2	0	0	0	0	114.6
877	D	37.4	Very low	47.6	Very low	132 Å²	132	103.1 Å²	103.1	71%	0.706	59%	0.586	S	S	*	*			trans	-113.6	8.2	-159.7	-61	-83.4	0	0	0	116.4	H879	D877-H879 PolarHBondContact O-N 3.09Å
878	I	37.4	Very low	47.3	Very low	77 Å²	77	106.4 Å²	106.4	40%	0.395	60%	0.601	S	S	.	*			trans	-83.4	41.9	-175.1	-37.2	-175.1	0	0	0	112.6	L864 R868 L875	L864-I878 HydrophobicContact CD1-CG2 4.31Å; L864-I878 HydrophobicContact CD2-CG2 4.45Å; R868-I878 HydrophobicContact CG-CD1 4.07Å; L875-I878 HydrophobicContact CD2-CD1 3.57Å; L875-I878 HydrophobicContact CD2-CG1 4.45Å
879	H	33	Very low	47.3	Very low	163 Å²	163	105.9 Å²	105.9	76%	0.755	60%	0.603	S	S	*	*	S	Bend	trans	-154.4	41.1	-173.5	-146.7	-75.6	0	0	0	117.5	D877	D877-H879 PolarHBondContact O-N 3.09Å
880	P	39.2	Very low	47.2	Very low	86 Å²	86	102.8 Å²	102.8	56%	0.558	59%	0.59	S	S	*	*			trans	-146.5	42.4	131.8	39	-23.2	0	0	0	116.1	F882 T883	P880-F882 PolarHBondContact O-N 3.32Å; P880-F882 VanDerWaalsContact O-N 3.08Å; P880-T883 PolarHBondContact O-OG1 2.84Å
881	L	36.6	Very low	47.9	Very low	108 Å²	108	98.1 Å²	98.1	57%	0.565	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	4.7	170.9	-75.1	179.3	0	0	0	114.7	L864	L864-L881 HydrophobicContact CD1-CD1 4.29Å; L864-L881 HydrophobicContact CD2-CD1 4.01Å
882	F	43.5	Very low	48.7	Very low	52 Å²	52	98 Å²	98	23%	0.228	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-115.2	-1.7	-171.8	-57.8	-60.6	0	0	0	114.8	Y857 P880	Y857-F882 AromaticContact CD2-CD1 3.78Å; Y857-F882 HydrophobicContact CD2-CD1 3.78Å; Y857-F882 AromaticContact CD2-CE1 3.82Å; Y857-F882 HydrophobicContact CD2-CE1 3.82Å; Y857-F882 HydrophobicContact CE1-CE1 4.49Å; Y857-F882 HydrophobicContact CE1-CZ 4.49Å; Y857-F882 HydrophobicContact CE2-CB 4.4Å; Y857-F882 AromaticContact CE2-CD1 3.3Å; Y857-F882 HydrophobicContact CE2-CD1 3.3Å; Y857-F882 HydrophobicContact CE2-CD2 4.26Å; Y857-F882 AromaticContact CE2-CE1 3.46Å; Y857-F882 HydrophobicContact CE2-CE1 3.46Å; Y857-F882 VanDerWaalsContact CE2-CE1 3.46Å; Y857-F882 HydrophobicContact CE2-CE2 4.39Å; Y857-F882 AromaticContact CE2-CG 3.74Å; Y857-F882 HydrophobicContact CE2-CG 3.74Å; Y857-F882 HydrophobicContact CE2-CZ 4.02Å; Y857-F882 HydrophobicContact CG-CE1 4.48Å; Y857-F882 AromaticContact CZ-CE1 3.82Å; Y857-F882 AromaticContact CZ-CZ 3.9Å; P880-F882 PolarHBondContact O-N 3.32Å; P880-F882 VanDerWaalsContact O-N 3.08Å
883	T	43.6	Very low	50	Low	114 Å²	114	96.7 Å²	96.7	70%	0.699	53%	0.533	S	S	*	.	S	Bend	trans	-98	-15.4	-171	45.3	0	0	0	0	115.9	P880	P880-T883 PolarHBondContact O-OG1 2.84Å
884	E	42.1	Very low	51.7	Low	177 Å²	177	95.1 Å²	95.1	83%	0.827	51%	0.514	S	S	*	.			trans	-127.8	38.5	178.8	-66.6	-160.3	174.9	0	0	114	D886	E884-D886 PolarHBondContact O-N 3Å
885	H	46.6	Very low	53.3	Low	77 Å²	77	93.4 Å²	93.4	36%	0.356	51%	0.507	S	S	.	.			trans	-72.2	78.5	161.7	-87.3	-62	0	0	0	110.6	Q860 S887 I891	Q860-H885 PolarHBondContact NE2-NE2 3.37Å; Q860-H885 PolarHBondContact OE1-NE2 2.86Å; H885-S887 PolarHBondContact O-N 2.86Å; H885-I891 WeakPolarHBondContact CE1-CD1 3.42Å; H885-I891 WeakPolarHBondContact CE1-CG1 3.39Å; H885-I891 WeakPolarHBondContact CE1-CG2 3.21Å
886	D	51.2	Low	55.2	Low	68 Å²	68	92.3 Å²	92.3	36%	0.364	51%	0.507	S	S	.	.			trans	-48.1	107.9	155.7	172.4	-1.9	0	0	0	108.8	E884 Q888 K889	E884-D886 PolarHBondContact O-N 3Å; D886-Q888 PolarHBondContact O-N 2.95Å; D886-Q888 PolarHBondContact OD1-N 2.83Å; D886-K889 HydrophobicContact CB-CD 4.01Å; D886-K889 HydrophobicContact CB-CG 4.11Å; D886-K889 PolarHBondContact O-N 2.84Å; D886-K889 WeakPolarHBondContact OD2-CE 3.46Å; D886-K889 IonicContact OD2-NZ 3.37Å; D886-K889 PolarHBondContact OD2-NZ 2.95Å
887	S	52.6	Low	56.9	Low	62 Å²	62	90.3 Å²	90.3	43%	0.434	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-6.9	-170.6	-47.7	0	0	0	0	114.9	H805 H885	H805-S887 PolarHBondContact CD2-OG 2.94Å; H805-S887 PolarHBondContact NE2-OG 2.82Å; H885-S887 PolarHBondContact O-N 2.86Å
888	Q	58.4	Low	58.4	Low	178 Å²	178	91.6 Å²	91.6	83%	0.832	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.9	-178.4	-58.1	174.8	23.6	0	0	112.7	D886	D886-Q888 PolarHBondContact O-N 2.95Å; D886-Q888 PolarHBondContact OD1-N 2.83Å
889	K	64.9	Low	60	Low	121 Å²	121	91.1 Å²	91.1	53%	0.526	50%	0.502	S	S	.	.	S	Bend	trans	-84.9	126.3	177.3	-71.7	-177.6	-177.6	112.9	0	111.3	D886	D886-K889 HydrophobicContact CB-CD 4.01Å; D886-K889 HydrophobicContact CB-CG 4.11Å; D886-K889 PolarHBondContact O-N 2.84Å; D886-K889 WeakPolarHBondContact OD2-CE 3.46Å; D886-K889 IonicContact OD2-NZ 3.37Å; D886-K889 PolarHBondContact OD2-NZ 2.95Å
890	P	67.4	Low	61.9	Low	69 Å²	69	84.4 Å²	84.4	45%	0.448	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-76.4	135.4	179.6	30.9	-34.7	0	0	0	112	D839 V841	D839-P890 HydrophobicContact CB-CB 4.31Å; D839-P890 WeakPolarHBondContact O-CA 3.37Å; V841-P890 HydrophobicContact CB-CB 4.36Å; V841-P890 HydrophobicContact CG1-CB 3.63Å; V841-P890 HydrophobicContact CG1-CG 4.37Å; V841-P890 HydrophobicContact CG2-CB 3.83Å; V841-P890 HydrophobicContact CG2-CG 4.29Å
891	I	76	Confident	62.7	Low	8 Å²	8	86 Å²	86	4%	0.041	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.6	-168.8	-55.8	172.4	0	0	0	110.6	V838 D839 V840 V841 V856 H885 L893	V838-I891 HydrophobicContact CG1-CD1 3.53Å; V838-I891 HydrophobicContact CG1-CG1 4.3Å; D839-I891 PolarHBondContact O-N 3.35Å; V840-I891 CarbonylContact C-O 3.59Å; V840-I891 VanDerWaalsContact CA-O 3.29Å; V840-I891 WeakPolarHBondContact CA-O 3.46Å; V840-I891 VanDerWaalsContact CG1-O 3.28Å; V840-I891 WeakPolarHBondContact CG1-O 3.45Å; V841-I891 PolarHBondContact N-O 3.48Å; V856-I891 HydrophobicContact CG1-CD1 3.76Å; V856-I891 HydrophobicContact CG1-CG2 4.45Å; H885-I891 WeakPolarHBondContact CE1-CD1 3.42Å; H885-I891 WeakPolarHBondContact CE1-CG1 3.39Å; H885-I891 WeakPolarHBondContact CE1-CG2 3.21Å; I891-L893 HydrophobicContact CB-CD1 4.49Å; I891-L893 HydrophobicContact CG2-CD1 3.68Å; I891-L893 HydrophobicContact CG2-CG 3.94Å; I891-L893 PolarHBondContact O-N 3.41Å
892	P	73.8	Confident	63.5	Low	82 Å²	82	85.6 Å²	85.6	53%	0.532	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	74.4	-168.4	32.7	-36.9	0	0	0	114.1	V841	V841-P892 HydrophobicContact CG2-CB 4.4Å; V841-P892 CarbonylContact O-C 3.47Å; V841-P892 VanDerWaalsContact O-CA 3.29Å; V841-P892 WeakPolarHBondContact O-CA 3.28Å
893	L	79	Confident	63.4	Low	48 Å²	48	88.9 Å²	88.9	25%	0.251	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	2.3	-178.3	-61.3	159.7	0	0	0	115.1	V840 V841 V856 Q860 L863 I891	V840-L893 HydrophobicContact CG1-CB 3.58Å; V840-L893 HydrophobicContact CG1-CD1 4.06Å; V840-L893 HydrophobicContact CG1-CG 4.26Å; V841-L893 PolarHBondContact O-N 3.47Å; V841-L893 VanDerWaalsContact O-N 3.09Å; V856-L893 HydrophobicContact CG1-CD1 3.75Å; Q860-L893 HydrophobicContact CG-CD1 4.04Å; Q860-L893 HydrophobicContact CG-CD2 4.18Å; L863-L893 HydrophobicContact CD1-CD2 3.31Å; I891-L893 HydrophobicContact CB-CD1 4.49Å; I891-L893 HydrophobicContact CG2-CD1 3.68Å; I891-L893 HydrophobicContact CG2-CG 3.94Å; I891-L893 PolarHBondContact O-N 3.41Å
894	L	80.4	Confident	63.1	Low	43 Å²	43	89.8 Å²	89.8	23%	0.225	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.8	170	-68.3	99.2	0	0	0	111.6	V840 V841 C842 L847 Q849	V840-L894 VanDerWaalsContact C-CD1 3.46Å; V840-L894 HydrophobicContact CB-CD1 4Å; V840-L894 HydrophobicContact CG1-CD1 3.79Å; V840-L894 WeakPolarHBondContact O-CD1 3.04Å; V841-L894 PolarHBondContact O-N 2.72Å; C842-L894 WeakPolarHBondContact CA-O 3.31Å; L847-L894 HydrophobicContact CB-CD2 4.33Å; Q849-L894 HydrophobicContact CB-CD1 4.48Å
895	A	75	Confident	62.9	Low	81 Å²	81	90 Å²	90	67%	0.669	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-71.6	155.2	169.2	0	0	0	0	0	111.5
896	C	77	Confident	62.4	Low	72 Å²	72	90.9 Å²	90.9	49%	0.486	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-75.7	140.9	167	-57.1	0	0	0	0	110.2	C842 C900	C842-C896 PolarHBondContact SG-SG 3.23Å; C896-C900 HydrophobicContact CB-CB 3.99Å
897	D	79	Confident	61.8	Low	78 Å²	78	96 Å²	96	42%	0.417	56%	0.56	S	S	.	*			trans	-108.6	-175.3	169.2	72	2.8	0	0	0	111.8	S899 C900	D897-S899 PolarHBondContact O-N 3.31Å; D897-S899 VanDerWaalsContact O-N 3.12Å; D897-S899 WeakPolarHBondContact OD1-CA 3.14Å; D897-S899 VanDerWaalsContact OD1-CB 3.23Å; D897-S899 WeakPolarHBondContact OD1-CB 3.42Å; D897-S899 PolarHBondContact OD1-N 2.85Å; D897-S899 PolarHBondContact OD1-OG 3.14Å; D897-C900 PolarHBondContact N-SG 3.13Å; D897-C900 WeakPolarHBondContact O-CB 3.26Å; D897-C900 PolarHBondContact O-N 3.17Å; D897-C900 PolarHBondContact O-SG 3.4Å; D897-C900 PolarHBondContact OD1-SG 3.05Å; D897-C900 VanDerWaalsContact OD1-SG 3.39Å
898	N	69.2	Low	61	Low	159 Å²	159	98.7 Å²	98.7	85%	0.85	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-9.7	180	-65.8	-6.4	0	0	0	114.3	C900	N898-C900 PolarHBondContact O-N 3.16Å
899	S	71.1	Confident	59.9	Low	68 Å²	68	97.8 Å²	97.8	48%	0.476	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-10	170.9	80.5	0	0	0	0	112.7	K846 D897	K846-S899 PolarHBondContact NZ-O 3.3Å; D897-S899 PolarHBondContact O-N 3.31Å; D897-S899 VanDerWaalsContact O-N 3.12Å; D897-S899 WeakPolarHBondContact OD1-CA 3.14Å; D897-S899 VanDerWaalsContact OD1-CB 3.23Å; D897-S899 WeakPolarHBondContact OD1-CB 3.42Å; D897-S899 PolarHBondContact OD1-N 2.85Å; D897-S899 PolarHBondContact OD1-OG 3.14Å
900	C	73.1	Confident	58.2	Low	21 Å²	21	96.4 Å²	96.4	14%	0.142	58%	0.58	C	S	.	*			trans	-80.5	-30.3	-169.1	-60.1	0	0	0	0	114	C844 K846 C896 D897 N898 S902	C844-C900 HydrophobicContact CB-CB 4.32Å; C844-C900 PolarHBondContact SG-SG 3.07Å; K846-C900 PolarHBondContact NZ-O 3.25Å; C896-C900 HydrophobicContact CB-CB 3.99Å; D897-C900 PolarHBondContact N-SG 3.13Å; D897-C900 WeakPolarHBondContact O-CB 3.26Å; D897-C900 PolarHBondContact O-N 3.17Å; D897-C900 PolarHBondContact O-SG 3.4Å; D897-C900 PolarHBondContact OD1-SG 3.05Å; D897-C900 VanDerWaalsContact OD1-SG 3.39Å; N898-C900 PolarHBondContact O-N 3.16Å; C900-S902 PolarHBondContact O-N 3.08Å; C900-S902 VanDerWaalsContact O-N 3.13Å
901	T	56.1	Low	56.7	Low	121 Å²	121	102.7 Å²	102.7	74%	0.742	60%	0.604	S	S	*	*			trans	-79.8	88.8	-171.7	47.4	0	0	0	0	114.5
902	S	52.9	Low	54.7	Low	98 Å²	98	112.6 Å²	112.6	69%	0.685	64%	0.642	S	S	*	*	S	Bend	trans	-170.2	147.8	155.6	-81	0	0	0	0	110.6	C900	C900-S902 PolarHBondContact O-N 3.08Å; C900-S902 VanDerWaalsContact O-N 3.13Å
903	S	42.6	Very low	52.8	Low	121 Å²	121	113.3 Å²	113.3	85%	0.846	66%	0.655	S	S	*	*			trans	60.1	71.1	168.1	-52.4	0	0	0	0	116.9
904	T	36.2	Very low	50.6	Low	134 Å²	134	118 Å²	118	82%	0.822	68%	0.68	S	S	*	*			trans	-65.2	120.8	145.1	43.2	0	0	0	0	109.7
905	E	38.9	Very low	48.3	Very low	180 Å²	180	122 Å²	122	84%	0.841	71%	0.707	S	S	*	*			trans	178	141.3	134.2	-100.5	167.1	-145.8	0	0	112.2
906	S	36.3	Very low	46.3	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	71%	0.714	S	S	*	*			trans	49.2	104.7	154	-54.8	0	0	0	0	121.5
907	H	37.1	Very low	44.2	Very low	176 Å²	176	126.3 Å²	126.3	82%	0.815	73%	0.728	S	S	*	*				27.8	130.7	115.9	-58.8	-73.7	0	0	0	119.2
908	T	37.5	Very low	41.9	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	75%	0.752	S	S	*	*			cis	-157.3	159.7	8.9	11.4	0	0	0	0	112.4
909	N	34.8	Very low	40.4	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	75%	0.751	S	S	*	*			trans	47.5	78.8	160.9	-70	7.3	0	0	0	118.9
910	S	29.1	Very low	38.5	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	77%	0.771	S	S	*	*			trans	-75.8	127.7	153	135.5	0	0	0	0	111	Y912	S910-Y912 WeakPolarHBondContact OG-CD2 3.47Å; S910-Y912 WeakPolarHBondContact OG-CE2 3.44Å
911	Q	36.6	Very low	36.6	Very low	200 Å²	200	146.1 Å²	146.1	94%	0.935	80%	0.798	S	S	*	*			trans	-133.9	133.7	146.3	-94.1	-170.7	-8	0	0	110.1
912	Y	32.8	Very low	35.3	Very low	217 Å²	217	150.3 Å²	150.3	85%	0.851	81%	0.806	S	S	*	*			trans	-93.8	142.6	-168.2	-85	-125.3	0	0	0	112.9	S910	S910-Y912 WeakPolarHBondContact OG-CD2 3.47Å; S910-Y912 WeakPolarHBondContact OG-CE2 3.44Å
913	A	34.1	Very low	34.2	Very low	97 Å²	97	151.1 Å²	151.1	80%	0.802	81%	0.807	S	S	*	*			trans	-160.7	107	148.5	0	0	0	0	0	114.5
914	N	32.2	Very low	33.5	Very low	147 Å²	147	153.2 Å²	153.2	79%	0.786	81%	0.809	S	S	*	*			trans	38.1	93.1	149.2	-66.4	-9.6	0	0	0	122.5
915	T	32.8	Very low	33.2	Very low	127 Å²	127	152.2 Å²	152.2	78%	0.779	81%	0.807	S	S	*	*				21.1	110.4	115.1	59.3	0	0	0	0	119.8
916	S	33	Very low	32.8	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	80%	0.8	S	S	*	*			trans	-166.8	35	146	47.9	0	0	0	0	113.2	W918	S916-W918 PolarHBondContact O-N 3.23Å; S916-W918 VanDerWaalsContact O-N 3.1Å
917	T	32.1	Very low	32.5	Very low	124 Å²	124	151.6 Å²	151.6	76%	0.761	81%	0.81	S	S	*	*			trans	-74.5	97.4	-172.5	47.3	0	0	0	0	114.1
918	W	31.1	Very low	32.4	Very low	248 Å²	248	148 Å²	148	94%	0.939	81%	0.811	S	S	*	*			trans	-134.4	124.6	152.5	-88.9	82.2	0	0	0	110	S916	S916-W918 PolarHBondContact O-N 3.23Å; S916-W918 VanDerWaalsContact O-N 3.1Å
919	K	38.4	Very low	32.2	Very low	188 Å²	188	151.7 Å²	151.7	82%	0.817	82%	0.82	S	S	*	*			trans	-109	145.4	-166.4	-74	-176.1	177.3	-179.7	0	114.3
920	R	31.4	Very low	32.1	Very low	238 Å²	238	151.8 Å²	151.8	90%	0.898	82%	0.819	S	S	*	*				-176.9	129.8	126.2	-103.6	166.4	-86.1	-141.2	0.1	106.7
921	G	32	Very low	32.3	Very low	68 Å²	68	153 Å²	153	70%	0.701	83%	0.825	S	S	*	*			cis	145	139.4	9.4	0	0	0	0	0	106.4
922	F	29.4	Very low	32	Very low	208 Å²	208	151 Å²	151	91%	0.912	82%	0.821	S	S	*	*			cis	-123.5	164.7	14.2	-98.9	-109.6	0	0	0	113
923	T	29.1	Very low	32.3	Very low	115 Å²	115	145.9 Å²	145.9	71%	0.706	82%	0.817	S	S	*	*			trans	-93.3	151.8	171.8	43.3	0	0	0	0	111.6
924	N	28.4	Very low	32.3	Very low	166 Å²	166	149.9 Å²	149.9	89%	0.888	82%	0.824	S	S	*	*			trans	-58.8	140.1	161.6	-65.8	-7.9	0	0	0	109.6
925	S	31.3	Very low	32.4	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	82%	0.816	S	S	*	*			trans	-148.9	145.2	165.4	-65.5	0	0	0	0	108
926	S	29.8	Very low	32.5	Very low	99 Å²	99	146.9 Å²	146.9	69%	0.692	82%	0.818	S	S	*	*			trans	-87.6	157.8	-166.4	47.1	0	0	0	0	113.3
927	D	30.3	Very low	32.7	Very low	164 Å²	164	150 Å²	150	88%	0.877	82%	0.819	S	S	*	*			trans	42.1	95.7	144.4	-46.8	-26.3	0	0	0	117.5
928	A	34.6	Very low	32.8	Very low	102 Å²	102	147.6 Å²	147.6	84%	0.843	81%	0.807	S	S	*	*			trans	-138.3	135.4	161	0	0	0	0	0	109.1
929	E	34.1	Very low	33.7	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.3	159.4	-173.3	-61.7	178.9	122	0	0	112.8	P931	E929-P931 WeakPolarHBondContact O-CD 3.22Å
930	L	30.7	Very low	34.3	Very low	161 Å²	161	139 Å²	139	84%	0.843	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.9	128.1	179.6	-71	167.8	0	0	0	112.3
931	P	34.3	Very low	35.6	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91.6	124.9	150.4	0.8	19.9	0	0	0	109.1	E929 S933	E929-P931 WeakPolarHBondContact O-CD 3.22Å; P931-S933 PolarHBondContact O-N 2.98Å
932	N	30.9	Very low	37.1	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.1	170.1	-63.6	-59.1	0	0	0	109.8
933	S	39.2	Very low	39.1	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	73%	0.734	S	S	*	*			trans	-155.3	125.8	165.9	-169.3	0	0	0	0	109.6	P931 G935	P931-S933 PolarHBondContact O-N 2.98Å; S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 PolarHBondContact O-N 3.36Å
934	D	32.8	Very low	41.6	Very low	180 Å²	180	129.3 Å²	129.3	96%	0.963	74%	0.742	S	S	*	*			trans	-75.8	81.8	179.3	-63.9	-78.1	0	0	0	110.7
935	G	33.9	Very low	44.4	Very low	60 Å²	60	121.9 Å²	121.9	62%	0.619	70%	0.702	S	S	*	*			trans	-129.5	138.4	-179.1	0	0	0	0	0	113.2	S933 E937	S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 PolarHBondContact O-N 3.36Å; G935-E937 PolarHBondContact O-N 3.16Å; G935-E937 VanDerWaalsContact O-N 3.16Å
936	D	36	Very low	47.2	Very low	151 Å²	151	118.9 Å²	118.9	81%	0.807	68%	0.68	S	S	*	*			trans	-90.2	65.7	-169.8	-167.3	28.6	0	0	0	113.5
937	E	36.2	Very low	49.9	Very low	185 Å²	185	119.4 Å²	119.4	86%	0.864	68%	0.675	S	S	*	*			trans	-123.2	130.3	169.2	-68.4	-161.2	148.3	0	0	112.3	G935	G935-E937 PolarHBondContact O-N 3.16Å; G935-E937 VanDerWaalsContact O-N 3.16Å
938	C	35.2	Very low	52.7	Low	73 Å²	73	115.3 Å²	115.3	49%	0.493	65%	0.65	S	S	.	*			trans	-88	125	170.3	-87.4	0	0	0	0	109.7	F940 R1050	C938-F940 PolarHBondContact O-N 3Å; C938-R1050 PolarHBondContact SG-NH1 3.43Å
939	P	50.1	Low	55.4	Low	118 Å²	118	110.6 Å²	110.6	77%	0.766	61%	0.611	S	S	*	*	S	Bend	trans	-63.6	-0.8	-176.1	-26.2	35.4	0	0	0	117.1
940	F	51.3	Low	58.2	Low	139 Å²	139	103.3 Å²	103.3	61%	0.61	58%	0.576	S	S	*	*	S	Bend	trans	-145.6	128.9	178.6	-59.5	-73.9	0	0	0	109.6	C938	C938-F940 PolarHBondContact O-N 3Å
941	D	59	Low	60.9	Low	148 Å²	148	100.5 Å²	100.5	79%	0.791	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-58.1	141.7	170	-68.1	-63.7	0	0	0	111.2
942	P	61.9	Low	63.7	Low	50 Å²	50	96.3 Å²	96.3	33%	0.325	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-63	140.2	169.6	29.2	-33.8	0	0	0	109.3	E944 V1056	P942-E944 PolarHBondContact O-N 3.01Å; P942-V1056 HydrophobicContact CB-CG2 4.14Å
943	P	72.4	Confident	66.5	Low	40 Å²	40	88.8 Å²	88.8	26%	0.26	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-63.4	135.8	-176.9	26.2	-34	0	0	0	111.3	Y945 Y1015 P1043	P943-Y945 HydrophobicContact CG-CE2 4.08Å; P943-Y945 VanDerWaalsContact O-CD2 3.31Å; P943-Y945 WeakPolarHBondContact O-CD2 3.28Å; P943-Y945 PolarHBondContact O-N 3.06Å; P943-Y1015 HydrophobicContact CB-CD1 3.86Å; P943-Y1015 HydrophobicContact CB-CE1 4.16Å; P943-Y1015 HydrophobicContact CG-CD1 4.06Å; P943-P1043 HydrophobicContact CG-CB 4.06Å
944	E	81.8	Confident	68.9	Low	187 Å²	187	86.9 Å²	86.9	87%	0.874	47%	0.469	S	S	*	.			trans	-65.4	101.9	176.6	-66.4	-170.8	151.2	0	0	110.8	P942	P942-E944 PolarHBondContact O-N 3.01Å
945	Y	86.9	Confident	71.6	Confident	9 Å²	9	87.4 Å²	87.4	4%	0.035	46%	0.458	C	S	.	.			trans	-78.1	122.1	174.5	-68.6	-72.2	0	0	0	110.5	P943 L949 K950 I1012 Y1015 G1051 L1053 V1056	P943-Y945 HydrophobicContact CG-CE2 4.08Å; P943-Y945 VanDerWaalsContact O-CD2 3.31Å; P943-Y945 WeakPolarHBondContact O-CD2 3.28Å; P943-Y945 PolarHBondContact O-N 3.06Å; Y945-L949 HydrophobicContact CD1-CD1 4.12Å; Y945-K950 WeakPolarHBondContact O-CE 3.41Å; Y945-I1012 HydrophobicContact CD1-CD1 4.12Å; Y945-I1012 HydrophobicContact CE1-CD1 3.61Å; Y945-Y1015 HydrophobicContact CD1-CD1 4Å; Y945-Y1015 HydrophobicContact CD1-CD2 4.28Å; Y945-Y1015 AromaticContact CD1-CE1 3.86Å; Y945-Y1015 HydrophobicContact CD1-CE1 3.86Å; Y945-Y1015 HydrophobicContact CD1-CE2 4.16Å; Y945-Y1015 HydrophobicContact CD1-CG 4.22Å; Y945-Y1015 AromaticContact CD1-CZ 3.96Å; Y945-Y1015 AromaticContact CE1-CD1 3.59Å; Y945-Y1015 HydrophobicContact CE1-CD1 3.59Å; Y945-Y1015 AromaticContact CE1-CD2 3.93Å; Y945-Y1015 HydrophobicContact CE1-CD2 3.93Å; Y945-Y1015 AromaticContact CE1-CE1 3.96Å; Y945-Y1015 HydrophobicContact CE1-CE1 3.96Å; Y945-Y1015 HydrophobicContact CE1-CE2 4.28Å; Y945-Y1015 AromaticContact CE1-CG 3.59Å; Y945-Y1015 HydrophobicContact CE1-CG 3.59Å; Y945-G1051 WeakPolarHBondContact CE2-O 3.36Å; Y945-G1051 PolarHBondContact OH-O 3.34Å; Y945-G1051 VanDerWaalsContact OH-O 3.13Å; Y945-L1053 HydrophobicContact CD1-CB 4.33Å; Y945-L1053 HydrophobicContact CD1-CD1 4.39Å; Y945-L1053 HydrophobicContact CD2-CB 4.08Å; Y945-L1053 HydrophobicContact CD2-CD1 3.84Å; Y945-L1053 HydrophobicContact CE1-CB 4.16Å; Y945-L1053 HydrophobicContact CE2-CB 3.89Å; Y945-L1053 HydrophobicContact CG-CB 4.29Å; Y945-L1053 HydrophobicContact CG-CD1 3.76Å; Y945-V1056 HydrophobicContact CD2-CG2 4.3Å; Y945-V1056 HydrophobicContact CE2-CG2 4.16Å
946	P	89.1	Confident	74.3	Confident	50 Å²	50	86.8 Å²	86.8	33%	0.325	44%	0.44	S	S	.	.			trans	-64.6	151.8	-180	25.8	-35.6	0	0	0	112.4	H948 L949 K950 Y1015	P946-H948 PolarHBondContact O-N 3.16Å; P946-L949 HydrophobicContact CG-CD1 4.21Å; P946-L949 HydrophobicContact CG-CG 4.29Å; P946-L949 WeakPolarHBondContact O-CB 3.4Å; P946-L949 PolarHBondContact O-N 3.41Å; P946-K950 PolarHBondContact O-N 3.48Å; P946-Y1015 WeakPolarHBondContact CD-OH 3.45Å
947	D	87.2	Confident	77	Confident	111 Å²	111	81 Å²	81	59%	0.594	41%	0.408	S	S	*	.	H	α-helix	trans	-52.5	-32.5	-172.4	-71.7	-35.7	0	0	0	114.7	L949 K950 Q951	D947-L949 PolarHBondContact O-N 3.16Å; D947-K950 PolarHBondContact O-N 3.02Å; D947-Q951 VanDerWaalsContact O-CB 3.26Å; D947-Q951 WeakPolarHBondContact O-CB 3.44Å; D947-Q951 WeakPolarHBondContact O-CG 3.36Å; D947-Q951 PolarHBondContact O-N 3.3Å
948	H	89.8	Confident	79.6	Confident	78 Å²	78	76 Å²	76	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-68	-25.9	179.9	78.2	-89.4	0	0	0	112.8	P946 F952 D1011	P946-H948 PolarHBondContact O-N 3.16Å; H948-F952 VanDerWaalsContact O-CB 3.25Å; H948-F952 WeakPolarHBondContact O-CB 3.28Å; H948-F952 PolarHBondContact O-N 3.13Å; H948-D1011 IonicContact CD2-OD2 3.78Å; H948-D1011 PolarHBondContact CD2-OD2 3.15Å; H948-D1011 IonicContact CE1-OD2 3.67Å; H948-D1011 IonicContact NE2-OD2 2.96Å; H948-D1011 PolarHBondContact NE2-OD2 2.72Å
949	L	91.1	Very high	82.4	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-77.1	-48.1	170.7	-66.7	-175.4	0	0	0	110.9	Y945 P946 D947 Q951 F952 A953 F1008 D1011 I1012 Y1015 L1053	Y945-L949 HydrophobicContact CD1-CD1 4.12Å; P946-L949 HydrophobicContact CG-CD1 4.21Å; P946-L949 HydrophobicContact CG-CG 4.29Å; P946-L949 WeakPolarHBondContact O-CB 3.4Å; P946-L949 PolarHBondContact O-N 3.41Å; D947-L949 PolarHBondContact O-N 3.16Å; L949-Q951 PolarHBondContact O-N 2.89Å; L949-F952 PolarHBondContact O-N 3.17Å; L949-F952 VanDerWaalsContact O-N 3.13Å; L949-A953 WeakPolarHBondContact O-CB 3.41Å; L949-A953 PolarHBondContact O-N 3.28Å; L949-F1008 HydrophobicContact CD2-CD2 3.68Å; L949-F1008 HydrophobicContact CD2-CE2 3.83Å; L949-D1011 HydrophobicContact CD2-CB 3.73Å; L949-I1012 HydrophobicContact CD1-CD1 4.36Å; L949-Y1015 HydrophobicContact CD1-CE2 3.87Å; L949-L1053 HydrophobicContact CB-CD2 3.97Å
950	K	91.4	Very high	84.5	Confident	41 Å²	41	68.2 Å²	68.2	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-54.6	-51.6	175.9	-64.7	-170.9	175.1	-166.2	0	111.3	Y945 P946 D947 F952 A953 L954 L1053 L1057 E1060	Y945-K950 WeakPolarHBondContact O-CE 3.41Å; P946-K950 PolarHBondContact O-N 3.48Å; D947-K950 PolarHBondContact O-N 3.02Å; K950-F952 VanDerWaalsContact C-N 3.34Å; K950-F952 PolarHBondContact O-N 3.33Å; K950-A953 PolarHBondContact O-N 3.43Å; K950-L954 WeakPolarHBondContact O-CB 3.29Å; K950-L954 VanDerWaalsContact O-CG 3.3Å; K950-L954 WeakPolarHBondContact O-CG 3.02Å; K950-L954 PolarHBondContact O-N 3.18Å; K950-L1053 HydrophobicContact CG-CD1 4.12Å; K950-L1057 HydrophobicContact CB-CD2 4.08Å; K950-L1057 HydrophobicContact CG-CD2 4.17Å; K950-E1060 WeakPolarHBondContact CE-OE2 3.48Å; K950-E1060 IonicContact NZ-OE1 3.97Å; K950-E1060 PolarHBondContact NZ-OE1 3.49Å; K950-E1060 IonicContact NZ-OE2 2.77Å; K950-E1060 PolarHBondContact NZ-OE2 3.16Å
951	Q	88.9	Confident	86.4	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-30.8	176.9	-68.9	177	28.8	0	0	114	D947 L949 R955	D947-Q951 VanDerWaalsContact O-CB 3.26Å; D947-Q951 WeakPolarHBondContact O-CB 3.44Å; D947-Q951 WeakPolarHBondContact O-CG 3.36Å; D947-Q951 PolarHBondContact O-N 3.3Å; L949-Q951 PolarHBondContact O-N 2.89Å; Q951-R955 WeakPolarHBondContact O-CD 3.37Å; Q951-R955 WeakPolarHBondContact O-CG 3.2Å
952	F	92	Very high	88.1	Confident	31 Å²	31	62.2 Å²	62.2	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-73.8	-44.5	175.8	-178.4	-87.8	0	0	0	111.2	H948 L949 K950 R955 N956 F959 V960 R1004 K1005 F1008	H948-F952 VanDerWaalsContact O-CB 3.25Å; H948-F952 WeakPolarHBondContact O-CB 3.28Å; H948-F952 PolarHBondContact O-N 3.13Å; L949-F952 PolarHBondContact O-N 3.17Å; L949-F952 VanDerWaalsContact O-N 3.13Å; K950-F952 VanDerWaalsContact C-N 3.34Å; K950-F952 PolarHBondContact O-N 3.33Å; F952-R955 CarbonylContact O-C 3.58Å; F952-R955 PolarHBondContact O-N 3.35Å; F952-R955 VanDerWaalsContact O-N 3.13Å; F952-N956 HydrophobicContact CD1-CB 4.29Å; F952-N956 HydrophobicContact CE1-CB 3.8Å; F952-N956 WeakPolarHBondContact CE2-ND2 3.29Å; F952-N956 HydrophobicContact CZ-CB 4.03Å; F952-N956 WeakPolarHBondContact O-CB 3.13Å; F952-N956 PolarHBondContact O-N 2.94Å; F952-N956 PolarHBondContact O-ND2 2.88Å; F952-F959 AromaticContact CE1-CD1 3.9Å; F952-F959 HydrophobicContact CE1-CD1 3.9Å; F952-F959 AromaticContact CE1-CE1 3.94Å; F952-F959 HydrophobicContact CE1-CE1 3.94Å; F952-F959 HydrophobicContact CZ-CD1 4.26Å; F952-F959 HydrophobicContact CZ-CE1 4.19Å; F952-V960 HydrophobicContact CD1-CG2 4.32Å; F952-V960 HydrophobicContact CE1-CG2 4.37Å; F952-R1004 HydrophobicContact CE2-CB 3.98Å; F952-K1005 HydrophobicContact CZ-CG 4.06Å; F952-F1008 HydrophobicContact CB-CD2 4.24Å; F952-F1008 HydrophobicContact CD1-CB 3.67Å; F952-F1008 HydrophobicContact CD1-CD1 4.25Å; F952-F1008 AromaticContact CD1-CD2 3.19Å; F952-F1008 HydrophobicContact CD1-CD2 3.19Å; F952-F1008 AromaticContact CD1-CE2 3.91Å; F952-F1008 HydrophobicContact CD1-CE2 3.91Å; F952-F1008 AromaticContact CD1-CG 3.4Å; F952-F1008 HydrophobicContact CD1-CG 3.4Å; F952-F1008 VanDerWaalsContact CD1-CG 3.4Å; F952-F1008 HydrophobicContact CE1-CB 3.46Å; F952-F1008 VanDerWaalsContact CE1-CB 3.46Å; F952-F1008 HydrophobicContact CE1-CD1 4.01Å; F952-F1008 AromaticContact CE1-CD2 3.77Å; F952-F1008 HydrophobicContact CE1-CD2 3.77Å; F952-F1008 AromaticContact CE1-CG 3.43Å; F952-F1008 HydrophobicContact CE1-CG 3.43Å; F952-F1008 VanDerWaalsContact CE1-CG 3.43Å; F952-F1008 HydrophobicContact CG-CB 4.28Å; F952-F1008 AromaticContact CG-CD2 3.93Å; F952-F1008 HydrophobicContact CG-CD2 3.93Å; F952-F1008 HydrophobicContact CG-CG 4.32Å; F952-F1008 HydrophobicContact CZ-CB 3.94Å; F952-F1008 HydrophobicContact CZ-CG 4.38Å
953	A	90.9	Very high	89.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-45.4	179.9	0	0	0	0	0	112.1	L949 K950 R955 N956 F957 V960 L1053 L1057	L949-A953 WeakPolarHBondContact O-CB 3.41Å; L949-A953 PolarHBondContact O-N 3.28Å; K950-A953 PolarHBondContact O-N 3.43Å; A953-R955 PolarHBondContact O-N 3.32Å; A953-N956 CarbonylContact O-C 3.48Å; A953-N956 PolarHBondContact O-N 2.15Å; A953-F957 VanDerWaalsContact O-CA 3.23Å; A953-F957 WeakPolarHBondContact O-CA 3.32Å; A953-F957 PolarHBondContact O-N 2.85Å; A953-V960 HydrophobicContact CB-CB 4.31Å; A953-V960 HydrophobicContact CB-CG1 4.19Å; A953-V960 HydrophobicContact CB-CG2 3.8Å; A953-L1053 HydrophobicContact CB-CD2 3.86Å; A953-L1053 HydrophobicContact CB-CG 4.22Å; A953-L1057 HydrophobicContact CB-CD1 3.46Å; A953-L1057 VanDerWaalsContact CB-CD1 3.46Å
954	L	89.8	Confident	90.6	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.366	28%	0.282	S	S	.	.	H	α-helix	trans	-55.9	-25.5	172	-71.9	169.3	0	0	0	113.3	K950 L1057 V1064	K950-L954 WeakPolarHBondContact O-CB 3.29Å; K950-L954 VanDerWaalsContact O-CG 3.3Å; K950-L954 WeakPolarHBondContact O-CG 3.02Å; K950-L954 PolarHBondContact O-N 3.18Å; L954-L1057 HydrophobicContact CD1-CD2 4.35Å; L954-L1057 HydrophobicContact CD2-CD2 4.3Å; L954-L1057 HydrophobicContact CG-CD1 4.34Å; L954-L1057 HydrophobicContact CG-CD2 4.15Å; L954-V1064 HydrophobicContact CD2-CG1 4.23Å
955	R	89.2	Confident	91	Very high	191 Å²	191	55.7 Å²	55.7	72%	0.721	27%	0.27	S	S	*	.	H	α-helix	trans	-96.2	-9.6	177.3	-70.7	175.1	173.6	151.6	-1.3	114.7	Q951 F952 A953	Q951-R955 WeakPolarHBondContact O-CD 3.37Å; Q951-R955 WeakPolarHBondContact O-CG 3.2Å; F952-R955 CarbonylContact O-C 3.58Å; F952-R955 PolarHBondContact O-N 3.35Å; F952-R955 VanDerWaalsContact O-N 3.13Å; A953-R955 PolarHBondContact O-N 3.32Å
956	N	91.1	Very high	91.3	Very high	47 Å²	47	57.9 Å²	57.9	25%	0.251	28%	0.281	S	S	.	.	S	Bend	trans	-143.5	34.6	-171.7	-62.4	-99.2	0	0	0	111.7	F952 A953 T958 F959 V960	F952-N956 HydrophobicContact CD1-CB 4.29Å; F952-N956 HydrophobicContact CE1-CB 3.8Å; F952-N956 WeakPolarHBondContact CE2-ND2 3.29Å; F952-N956 HydrophobicContact CZ-CB 4.03Å; F952-N956 WeakPolarHBondContact O-CB 3.13Å; F952-N956 PolarHBondContact O-N 2.94Å; F952-N956 PolarHBondContact O-ND2 2.88Å; A953-N956 CarbonylContact O-C 3.48Å; A953-N956 PolarHBondContact O-N 2.15Å; N956-T958 PolarHBondContact O-N 3.06Å; N956-F959 HydrophobicContact CB-CB 4.44Å; N956-F959 HydrophobicContact CB-CD1 4.46Å; N956-F959 WeakPolarHBondContact O-CA 3.14Å; N956-F959 WeakPolarHBondContact O-CB 3.44Å; N956-F959 PolarHBondContact O-N 3.28Å; N956-V960 PolarHBondContact O-N 2.81Å
957	F	91.1	Very high	91.5	Very high	30 Å²	30	55.5 Å²	55.5	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-51.5	-50.8	-161	-158.3	-89.9	0	0	0	114.4	A953 F959 V960 E961 T1054 L1057 K1058 V1065	A953-F957 VanDerWaalsContact O-CA 3.23Å; A953-F957 WeakPolarHBondContact O-CA 3.32Å; A953-F957 PolarHBondContact O-N 2.85Å; F957-F959 VanDerWaalsContact C-N 3.27Å; F957-F959 PolarHBondContact O-N 2.91Å; F957-V960 PolarHBondContact O-N 3.12Å; F957-E961 PolarHBondContact O-N 3.35Å; F957-T1054 HydrophobicContact CE1-CG2 3.6Å; F957-T1054 HydrophobicContact CE2-CG2 4.29Å; F957-T1054 HydrophobicContact CZ-CG2 3.37Å; F957-L1057 HydrophobicContact CE2-CB 4.48Å; F957-K1058 HydrophobicContact CZ-CD 4.47Å; F957-K1058 HydrophobicContact CZ-CG 4.19Å; F957-V1065 HydrophobicContact CD1-CG1 3.94Å; F957-V1065 HydrophobicContact CD2-CG1 4.19Å; F957-V1065 HydrophobicContact CD2-CG2 3.91Å; F957-V1065 HydrophobicContact CE1-CG1 3.49Å; F957-V1065 VanDerWaalsContact CE1-CG1 3.49Å; F957-V1065 HydrophobicContact CE2-CB 4.32Å; F957-V1065 HydrophobicContact CE2-CG1 3.77Å; F957-V1065 HydrophobicContact CE2-CG2 3.51Å; F957-V1065 HydrophobicContact CG-CG1 4.26Å; F957-V1065 HydrophobicContact CZ-CB 4.34Å; F957-V1065 HydrophobicContact CZ-CG1 3.39Å; F957-V1065 HydrophobicContact CZ-CG2 3.97Å
958	T	91.1	Very high	91.7	Very high	80 Å²	80	55.2 Å²	55.2	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-30.7	178.8	53.7	0	0	0	0	113.7	N956 N962	N956-T958 PolarHBondContact O-N 3.06Å; T958-N962 WeakPolarHBondContact O-CB 3.33Å; T958-N962 PolarHBondContact O-N 2.86Å; T958-N962 PolarHBondContact O-OD1 3.22Å; T958-N962 VanDerWaalsContact O-OD1 3.06Å
959	F	94.1	Very high	91.7	Very high	27 Å²	27	53.9 Å²	53.9	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-74.8	-30.9	174.4	167.2	-100.1	0	0	0	112	F952 N956 F957 T963 M1001 K1005 F1008 I1009	F952-F959 AromaticContact CE1-CD1 3.9Å; F952-F959 HydrophobicContact CE1-CD1 3.9Å; F952-F959 AromaticContact CE1-CE1 3.94Å; F952-F959 HydrophobicContact CE1-CE1 3.94Å; F952-F959 HydrophobicContact CZ-CD1 4.26Å; F952-F959 HydrophobicContact CZ-CE1 4.19Å; N956-F959 HydrophobicContact CB-CB 4.44Å; N956-F959 HydrophobicContact CB-CD1 4.46Å; N956-F959 WeakPolarHBondContact O-CA 3.14Å; N956-F959 WeakPolarHBondContact O-CB 3.44Å; N956-F959 PolarHBondContact O-N 3.28Å; F957-F959 VanDerWaalsContact C-N 3.27Å; F957-F959 PolarHBondContact O-N 2.91Å; F959-T963 WeakPolarHBondContact O-CB 3.42Å; F959-T963 PolarHBondContact O-N 3.18Å; F959-T963 PolarHBondContact O-OG1 2.86Å; F959-M1001 HydrophobicContact CE2-CE 4.44Å; F959-M1001 HydrophobicContact CE2-SD 4.15Å; F959-M1001 HydrophobicContact CZ-SD 3.93Å; F959-K1005 HydrophobicContact CD1-CD 4.18Å; F959-K1005 HydrophobicContact CD1-CG 4.05Å; F959-K1005 HydrophobicContact CD2-CD 3.88Å; F959-K1005 HydrophobicContact CE1-CB 3.83Å; F959-K1005 HydrophobicContact CE1-CD 4.09Å; F959-K1005 HydrophobicContact CE1-CG 3.69Å; F959-K1005 HydrophobicContact CE2-CB 4.27Å; F959-K1005 HydrophobicContact CE2-CD 3.78Å; F959-K1005 HydrophobicContact CE2-CG 4.23Å; F959-K1005 HydrophobicContact CG-CD 4.08Å; F959-K1005 HydrophobicContact CG-CG 4.46Å; F959-K1005 HydrophobicContact CZ-CB 3.6Å; F959-K1005 HydrophobicContact CZ-CD 3.88Å; F959-K1005 HydrophobicContact CZ-CG 3.79Å; F959-F1008 AromaticContact CE1-CD1 3.9Å; F959-F1008 HydrophobicContact CE1-CD1 3.9Å; F959-I1009 HydrophobicContact CE2-CD1 4.48Å; F959-I1009 HydrophobicContact CZ-CD1 3.97Å; F959-I1009 HydrophobicContact CZ-CG1 4.02Å
960	V	93.6	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.3	-46.4	175.3	176.3	0	0	0	0	111	F952 A953 N956 F957 N962 T963 E964 F1008	F952-V960 HydrophobicContact CD1-CG2 4.32Å; F952-V960 HydrophobicContact CE1-CG2 4.37Å; A953-V960 HydrophobicContact CB-CB 4.31Å; A953-V960 HydrophobicContact CB-CG1 4.19Å; A953-V960 HydrophobicContact CB-CG2 3.8Å; N956-V960 PolarHBondContact O-N 2.81Å; F957-V960 PolarHBondContact O-N 3.12Å; V960-N962 PolarHBondContact O-N 3.32Å; V960-T963 WeakPolarHBondContact O-CA 3.49Å; V960-T963 WeakPolarHBondContact O-CB 3.47Å; V960-T963 PolarHBondContact O-N 3.14Å; V960-E964 HydrophobicContact CG1-CG 4.39Å; V960-E964 PolarHBondContact O-N 2.74Å; V960-F1008 HydrophobicContact CB-CE1 4.18Å; V960-F1008 HydrophobicContact CB-CZ 4.06Å; V960-F1008 HydrophobicContact CG1-CE1 3.99Å; V960-F1008 HydrophobicContact CG1-CZ 3.55Å; V960-F1008 HydrophobicContact CG2-CD1 4.23Å; V960-F1008 HydrophobicContact CG2-CE1 3.59Å; V960-F1008 HydrophobicContact CG2-CE2 3.99Å; V960-F1008 HydrophobicContact CG2-CZ 3.46Å; V960-F1008 VanDerWaalsContact CG2-CZ 3.46Å
961	E	92.4	Very high	91.4	Very high	55 Å²	55	52.2 Å²	52.2	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-57.7	-48.5	178.3	-167.4	153.6	-131.8	0	0	111.3	F957 T963 E964 E965 T1054 K1058	F957-E961 PolarHBondContact O-N 3.35Å; E961-T963 VanDerWaalsContact C-N 3.28Å; E961-T963 PolarHBondContact O-N 3.5Å; E961-E964 PolarHBondContact O-N 3.25Å; E961-E965 WeakPolarHBondContact O-CB 3.46Å; E961-E965 PolarHBondContact O-N 2.89Å; E961-T1054 HydrophobicContact CB-CG2 4.22Å; E961-T1054 HydrophobicContact CG-CG2 4.1Å; E961-K1058 IonicContact OE1-NZ 2.65Å; E961-K1058 PolarHBondContact OE1-NZ 3.3Å
962	N	93.5	Very high	91.2	Very high	105 Å²	105	49.6 Å²	49.6	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-63.2	-30	173.6	-66.3	16.9	0	0	0	113.4	T958 V960 Q966	T958-N962 WeakPolarHBondContact O-CB 3.33Å; T958-N962 PolarHBondContact O-N 2.86Å; T958-N962 PolarHBondContact O-OD1 3.22Å; T958-N962 VanDerWaalsContact O-OD1 3.06Å; V960-N962 PolarHBondContact O-N 3.32Å; N962-Q966 PolarHBondContact O-N 3.15Å
963	T	93.3	Very high	90.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-71.8	-48.7	176.5	-62	0	0	0	0	110.2	F959 V960 E961 E965 Q966 L967 F998 I1009 I1012	F959-T963 WeakPolarHBondContact O-CB 3.42Å; F959-T963 PolarHBondContact O-N 3.18Å; F959-T963 PolarHBondContact O-OG1 2.86Å; V960-T963 WeakPolarHBondContact O-CA 3.49Å; V960-T963 WeakPolarHBondContact O-CB 3.47Å; V960-T963 PolarHBondContact O-N 3.14Å; E961-T963 VanDerWaalsContact C-N 3.28Å; E961-T963 PolarHBondContact O-N 3.5Å; T963-E965 VanDerWaalsContact C-N 3.34Å; T963-E965 PolarHBondContact O-N 2.79Å; T963-Q966 PolarHBondContact O-N 3.5Å; T963-L967 HydrophobicContact CG2-CD1 4.43Å; T963-L967 WeakPolarHBondContact O-CG 3.41Å; T963-L967 PolarHBondContact O-N 3.44Å; T963-F998 HydrophobicContact CG2-CE1 4.36Å; T963-F998 HydrophobicContact CG2-CZ 4.14Å; T963-I1009 HydrophobicContact CG2-CG1 4.24Å; T963-I1012 HydrophobicContact CG2-CG2 4.34Å
964	E	93.6	Very high	90.1	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-36.3	178.7	-68.3	-167.3	152.5	0	0	112.7	V960 E961 Q966 L967 R968 Y1016 S1052 L1053 T1054	V960-E964 HydrophobicContact CG1-CG 4.39Å; V960-E964 PolarHBondContact O-N 2.74Å; E961-E964 PolarHBondContact O-N 3.25Å; E964-Q966 VanDerWaalsContact C-N 3.34Å; E964-Q966 PolarHBondContact O-N 3.34Å; E964-L967 PolarHBondContact O-N 3.16Å; E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.03Å; E964-R968 PolarHBondContact O-N 3.48Å; E964-Y1016 WeakPolarHBondContact CG-OH 3.23Å; E964-S1052 VanDerWaalsContact CD-CB 3.49Å; E964-S1052 WeakPolarHBondContact OE1-CB 3.38Å; E964-S1052 WeakPolarHBondContact OE2-CB 3.37Å; E964-S1052 PolarHBondContact OE2-OG 3.13Å; E964-L1053 WeakPolarHBondContact OE1-CA 3.37Å; E964-L1053 WeakPolarHBondContact OE1-CB 3.26Å; E964-L1053 PolarHBondContact OE1-N 3.44Å; E964-T1054 VanDerWaalsContact CD-OG1 3.28Å; E964-T1054 PolarHBondContact OE1-N 2.98Å; E964-T1054 WeakPolarHBondContact OE2-CB 3.08Å; E964-T1054 PolarHBondContact OE2-N 3.05Å; E964-T1054 PolarHBondContact OE2-OG1 3.08Å
965	E	91.8	Very high	89.2	Confident	136 Å²	136	54.6 Å²	54.6	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-60.8	-42.6	172.6	-177.9	166.9	-132.5	0	0	111.6	E961 T963 R968 S969	E961-E965 WeakPolarHBondContact O-CB 3.46Å; E961-E965 PolarHBondContact O-N 2.89Å; T963-E965 VanDerWaalsContact C-N 3.34Å; T963-E965 PolarHBondContact O-N 2.79Å; E965-R968 PolarHBondContact O-N 3.46Å; E965-S969 WeakPolarHBondContact O-CB 3.37Å; E965-S969 PolarHBondContact O-N 2.79Å
966	Q	92.6	Very high	88.2	Confident	55 Å²	55	52.8 Å²	52.8	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-38.2	177.2	-171.2	57.1	51.1	0	0	112.5	N962 T963 E964 S969 M970 H996 F998	N962-Q966 PolarHBondContact O-N 3.15Å; T963-Q966 PolarHBondContact O-N 3.5Å; E964-Q966 VanDerWaalsContact C-N 3.34Å; E964-Q966 PolarHBondContact O-N 3.34Å; Q966-S969 WeakPolarHBondContact O-CB 3.13Å; Q966-S969 PolarHBondContact O-N 3.43Å; Q966-M970 WeakPolarHBondContact O-CG 3.43Å; Q966-M970 PolarHBondContact O-N 3.42Å; Q966-M970 VanDerWaalsContact O-N 3.07Å; Q966-H996 PolarHBondContact NE2-CD2 3.25Å; Q966-F998 HydrophobicContact CB-CZ 4.27Å; Q966-F998 HydrophobicContact CG-CZ 4.18Å
967	L	93	Very high	86.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-45	173.2	-62	177.2	0	0	0	111.3	T963 E964 S969 M970 I971 I1012 V1013 Y1016 M1018 I1033	T963-L967 HydrophobicContact CG2-CD1 4.43Å; T963-L967 WeakPolarHBondContact O-CG 3.41Å; T963-L967 PolarHBondContact O-N 3.44Å; E964-L967 PolarHBondContact O-N 3.16Å; L967-S969 VanDerWaalsContact C-N 3.3Å; L967-S969 PolarHBondContact O-N 3.19Å; L967-M970 PolarHBondContact O-N 3.35Å; L967-I971 PolarHBondContact O-N 3.24Å; L967-I971 VanDerWaalsContact O-N 3.11Å; L967-I1012 HydrophobicContact CD1-CG2 4.44Å; L967-V1013 HydrophobicContact CD1-CG2 4.12Å; L967-V1013 HydrophobicContact CD2-CG2 3.87Å; L967-Y1016 HydrophobicContact CB-CD1 3.83Å; L967-Y1016 HydrophobicContact CB-CE1 3.86Å; L967-Y1016 HydrophobicContact CB-CG 4.24Å; L967-Y1016 HydrophobicContact CD1-CD1 4.26Å; L967-Y1016 HydrophobicContact CD1-CD2 3.59Å; L967-Y1016 HydrophobicContact CD1-CE1 4.33Å; L967-Y1016 HydrophobicContact CD1-CE2 3.69Å; L967-Y1016 HydrophobicContact CD1-CG 3.89Å; L967-M1018 HydrophobicContact CB-CE 3.94Å; L967-M1018 HydrophobicContact CD2-CE 3.98Å; L967-M1018 HydrophobicContact CD2-SD 3.71Å; L967-M1018 WeakPolarHBondContact O-CE 3.34Å; L967-I1033 HydrophobicContact CD2-CD1 3.51Å; L967-I1033 HydrophobicContact CD2-CG2 4.38Å
968	R	90.9	Very high	84.4	Confident	105 Å²	105	58.4 Å²	58.4	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-40.5	174.5	-176.2	178.2	-177.4	-153.1	-0.4	111.3	E964 E965 I971 M972 L1042	E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.03Å; E964-R968 PolarHBondContact O-N 3.48Å; E965-R968 PolarHBondContact O-N 3.46Å; R968-I971 PolarHBondContact O-N 3.32Å; R968-M972 HydrophobicContact CG-CG 4.21Å; R968-M972 VanDerWaalsContact O-CB 3.3Å; R968-M972 WeakPolarHBondContact O-CB 3.43Å; R968-M972 WeakPolarHBondContact O-CG 3.3Å; R968-M972 PolarHBondContact O-N 2.96Å; R968-L1042 HydrophobicContact CB-CD2 4.4Å; R968-L1042 HydrophobicContact CG-CD2 4.26Å
969	S	89.9	Confident	82.5	Confident	49 Å²	49	60.4 Å²	60.4	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-46.4	176.6	-171.4	0	0	0	0	111.9	E965 Q966 L967 I971 M972 Q973	E965-S969 WeakPolarHBondContact O-CB 3.37Å; E965-S969 PolarHBondContact O-N 2.79Å; Q966-S969 WeakPolarHBondContact O-CB 3.13Å; Q966-S969 PolarHBondContact O-N 3.43Å; L967-S969 VanDerWaalsContact C-N 3.3Å; L967-S969 PolarHBondContact O-N 3.19Å; S969-I971 PolarHBondContact O-N 3.34Å; S969-M972 PolarHBondContact O-N 3.35Å; S969-Q973 WeakPolarHBondContact O-CG 3.47Å; S969-Q973 PolarHBondContact O-N 2.85Å
970	M	90	Very high	80.2	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-40.2	176.2	-66.9	175.5	78	0	0	112.8	Q966 L967 Q973 F974 L994 H996 M1018 I1033 A1035	Q966-M970 WeakPolarHBondContact O-CG 3.43Å; Q966-M970 PolarHBondContact O-N 3.42Å; Q966-M970 VanDerWaalsContact O-N 3.07Å; L967-M970 PolarHBondContact O-N 3.35Å; M970-Q973 PolarHBondContact O-N 3.32Å; M970-F974 PolarHBondContact O-N 2.05Å; M970-L994 HydrophobicContact CE-CB 4.27Å; M970-L994 WeakPolarHBondContact CE-O 3.2Å; M970-L994 WeakPolarHBondContact O-CD1 3.14Å; M970-H996 HydrophobicContact CE-CB 3.86Å; M970-H996 HydrophobicContact SD-CB 3.49Å; M970-H996 WeakPolarHBondContact SD-CB 3.46Å; M970-M1018 HydrophobicContact CB-CE 4.44Å; M970-M1018 HydrophobicContact SD-SD 4.48Å; M970-I1033 HydrophobicContact CE-CB 4.47Å; M970-I1033 HydrophobicContact CE-CG2 4.19Å; M970-I1033 HydrophobicContact SD-CB 4.5Å; M970-I1033 HydrophobicContact SD-CG2 4.27Å; M970-A1035 HydrophobicContact CB-CB 4.44Å; M970-A1035 HydrophobicContact CE-CB 3.81Å
971	I	87.5	Confident	77.7	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-43	175.1	-68.7	159.8	0	0	0	110.8	L967 R968 S969 Q973 F974 L975 Y1016 M1018 K1041 L1042	L967-I971 PolarHBondContact O-N 3.24Å; L967-I971 VanDerWaalsContact O-N 3.11Å; R968-I971 PolarHBondContact O-N 3.32Å; S969-I971 PolarHBondContact O-N 3.34Å; I971-Q973 PolarHBondContact O-N 3.27Å; I971-F974 PolarHBondContact O-N 3.21Å; I971-L975 HydrophobicContact CG2-CD1 3.82Å; I971-L975 HydrophobicContact CG2-CG 4.34Å; I971-L975 WeakPolarHBondContact O-CG 3.38Å; I971-L975 PolarHBondContact O-N 2.96Å; I971-L975 VanDerWaalsContact O-N 3.07Å; I971-Y1016 HydrophobicContact CD1-CD1 3.74Å; I971-M1018 HydrophobicContact CD1-CE 3.56Å; I971-M1018 HydrophobicContact CG1-CE 3.59Å; I971-K1041 WeakPolarHBondContact CD1-O 3.2Å; I971-L1042 HydrophobicContact CD1-CD2 3.92Å; I971-L1042 HydrophobicContact CD1-CG 4.33Å; I971-L1042 HydrophobicContact CG2-CG 4.39Å
972	M	84.8	Confident	75.8	Confident	45 Å²	45	74.9 Å²	74.9	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-27.6	178.4	-72.2	-72.8	159.9	0	0	112.5	R968 S969 L975 K976 L1042 M1047	R968-M972 HydrophobicContact CG-CG 4.21Å; R968-M972 VanDerWaalsContact O-CB 3.3Å; R968-M972 WeakPolarHBondContact O-CB 3.43Å; R968-M972 WeakPolarHBondContact O-CG 3.3Å; R968-M972 PolarHBondContact O-N 2.96Å; S969-M972 PolarHBondContact O-N 3.35Å; M972-L975 HydrophobicContact CE-CD1 4.17Å; M972-L975 PolarHBondContact O-N 2.93Å; M972-L975 HydrophobicContact SD-CD1 4.13Å; M972-K976 WeakPolarHBondContact O-CB 3.43Å; M972-K976 VanDerWaalsContact O-CG 3.28Å; M972-K976 WeakPolarHBondContact O-CG 3.48Å; M972-K976 PolarHBondContact O-N 3.4Å; M972-L1042 HydrophobicContact CE-CD1 4.13Å; M972-M1047 HydrophobicContact CE-SD 4.5Å
973	Q	81.8	Confident	73.6	Confident	100 Å²	100	73.2 Å²	73.2	47%	0.467	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-38	170.4	-74.7	175.6	4.7	0	0	112.6	S969 M970 I971 L975 L994	S969-Q973 WeakPolarHBondContact O-CG 3.47Å; S969-Q973 PolarHBondContact O-N 2.85Å; M970-Q973 PolarHBondContact O-N 3.32Å; I971-Q973 PolarHBondContact O-N 3.27Å; Q973-L975 VanDerWaalsContact C-N 3.35Å; Q973-L994 HydrophobicContact CB-CD1 3.59Å
974	F	76.6	Confident	71.6	Confident	18 Å²	18	78.3 Å²	78.3	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-68.8	-31.9	172.2	-73	-52.2	0	0	0	113.2	M970 I971 S977 L994 A1035 R1037	M970-F974 PolarHBondContact O-N 2.05Å; I971-F974 PolarHBondContact O-N 3.21Å; F974-S977 PolarHBondContact O-OG 3.06Å; F974-L994 HydrophobicContact CD1-CD1 3.88Å; F974-L994 HydrophobicContact CD1-CG 4.31Å; F974-L994 HydrophobicContact CD2-CD1 3.99Å; F974-L994 HydrophobicContact CE1-CB 4.46Å; F974-L994 HydrophobicContact CE1-CD1 3.76Å; F974-L994 HydrophobicContact CE1-CG 3.7Å; F974-L994 HydrophobicContact CE2-CB 4.27Å; F974-L994 HydrophobicContact CE2-CD1 3.89Å; F974-L994 HydrophobicContact CE2-CG 4.19Å; F974-L994 HydrophobicContact CG-CD1 4Å; F974-L994 HydrophobicContact CZ-CB 3.91Å; F974-L994 HydrophobicContact CZ-CD1 3.77Å; F974-L994 HydrophobicContact CZ-CG 3.64Å; F974-A1035 HydrophobicContact CE2-CB 3.72Å; F974-A1035 HydrophobicContact CZ-CB 4.47Å; F974-A1035 WeakPolarHBondContact CZ-O 3.36Å; F974-R1037 HydrophobicContact CD1-CB 3.94Å; F974-R1037 HydrophobicContact CD1-CG 4.33Å; F974-R1037 HydrophobicContact CE1-CB 3.96Å; F974-R1037 HydrophobicContact CG-CB 4.42Å; F974-R1037 HydrophobicContact CZ-CB 4.45Å; F974-R1037 PolarHBondContact O-NH1 3.37Å
975	L	72.2	Confident	69.9	Low	89 Å²	89	84.9 Å²	84.9	47%	0.466	44%	0.442	S	S	.	.	H	α-helix	trans	-80.7	-35.9	179.9	-65.2	170.4	0	0	0	112.9	I971 M972 Q973 S977 M1047	I971-L975 HydrophobicContact CG2-CD1 3.82Å; I971-L975 HydrophobicContact CG2-CG 4.34Å; I971-L975 WeakPolarHBondContact O-CG 3.38Å; I971-L975 PolarHBondContact O-N 2.96Å; I971-L975 VanDerWaalsContact O-N 3.07Å; M972-L975 HydrophobicContact CE-CD1 4.17Å; M972-L975 PolarHBondContact O-N 2.93Å; M972-L975 HydrophobicContact SD-CD1 4.13Å; Q973-L975 VanDerWaalsContact C-N 3.35Å; L975-S977 PolarHBondContact O-N 2.87Å; L975-M1047 HydrophobicContact CD1-CE 3.92Å; L975-M1047 HydrophobicContact CD1-SD 3.73Å
976	K	67.5	Low	67.7	Low	154 Å²	154	81.3 Å²	81.3	67%	0.67	43%	0.427	S	S	*	.	S	Bend	trans	-78	10	178.5	-74.4	-175.3	172	-169.8	0	114.3	M972 N978	M972-K976 WeakPolarHBondContact O-CB 3.43Å; M972-K976 VanDerWaalsContact O-CG 3.28Å; M972-K976 WeakPolarHBondContact O-CG 3.48Å; M972-K976 PolarHBondContact O-N 3.4Å; K976-N978 PolarHBondContact O-N 3.18Å
977	S	53.6	Low	65.2	Low	30 Å²	30	82.4 Å²	82.4	21%	0.21	44%	0.439	C	S	.	.			trans	-77.2	50.7	-170.6	78.4	0	0	0	0	114.6	F974 L975 R1037	F974-S977 PolarHBondContact O-OG 3.06Å; L975-S977 PolarHBondContact O-N 2.87Å; S977-R1037 PolarHBondContact OG-NH1 2.79Å
978	N	48.3	Very low	62.8	Low	164 Å²	164	90.7 Å²	90.7	88%	0.877	48%	0.475	S	S	*	.			trans	-91.7	28.8	157	-69.3	-1	0	0	0	110.1	K976	K976-N978 PolarHBondContact O-N 3.18Å
979	I	50.5	Low	60.4	Low	123 Å²	123	93.3 Å²	93.3	63%	0.631	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-87	134.4	-175.8	-60.1	170.1	0	0	0	107.9
980	E	45.8	Very low	58.4	Low	170 Å²	170	97 Å²	97	79%	0.794	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-59.7	147.2	-174.5	-62.8	179.1	143.8	0	0	112.5
981	P	41.8	Very low	56.7	Low	61 Å²	61	101.1 Å²	101.1	40%	0.396	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-66	136.1	-178.8	28.6	-35	0	0	0	111	D983	P981-D983 PolarHBondContact O-N 2.83Å; P981-D983 VanDerWaalsContact O-N 3.13Å
982	T	53	Low	55.8	Low	154 Å²	154	110.7 Å²	110.7	95%	0.945	56%	0.562	S	S	*	*	S	Bend	trans	-70.4	-7.1	-178	-36.9	0	0	0	0	113.5
983	D	47.9	Very low	55.6	Low	70 Å²	70	111.8 Å²	111.8	37%	0.374	57%	0.571	S	S	.	*	S	Bend	trans	-135.7	119.8	167.1	173	12.4	0	0	0	108.4	P981 N985 N986	P981-D983 PolarHBondContact O-N 2.83Å; P981-D983 VanDerWaalsContact O-N 3.13Å; D983-N985 PolarHBondContact O-N 3.13Å; D983-N985 VanDerWaalsContact O-N 3.12Å; D983-N985 WeakPolarHBondContact OD1-CB 3.44Å; D983-N985 PolarHBondContact OD1-N 3.31Å; D983-N985 PolarHBondContact OD1-ND2 3.27Å; D983-N986 HydrophobicContact CB-CB 4.45Å; D983-N986 PolarHBondContact O-N 2.9Å
984	P	50.8	Low	55.8	Low	110 Å²	110	108.6 Å²	108.6	71%	0.714	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-15.3	177.8	26.6	-34.7	0	0	0	113.5
985	N	56.9	Low	56.4	Low	141 Å²	141	111.8 Å²	111.8	75%	0.754	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-10.2	179.9	-50.8	-81.6	0	0	0	113.6	D983	D983-N985 PolarHBondContact O-N 3.13Å; D983-N985 VanDerWaalsContact O-N 3.12Å; D983-N985 WeakPolarHBondContact OD1-CB 3.44Å; D983-N985 PolarHBondContact OD1-N 3.31Å; D983-N985 PolarHBondContact OD1-ND2 3.27Å
986	N	46	Very low	57.3	Low	61 Å²	61	109.8 Å²	109.8	33%	0.326	57%	0.566	S	S	.	*			trans	-132.2	78.8	-179.3	-174.8	11.7	0	0	0	113.1	D983 K988 E989	D983-N986 HydrophobicContact CB-CB 4.45Å; D983-N986 PolarHBondContact O-N 2.9Å; N986-K988 PolarHBondContact O-N 3.17Å; N986-E989 PolarHBondContact ND2-OE2 3.47Å
987	P	41.1	Very low	58.5	Low	77 Å²	77	110.6 Å²	110.6	50%	0.5	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	20.7	-175.8	-20.5	34.5	0	0	0	116.4
988	K	42.9	Very low	60.5	Low	175 Å²	175	110.2 Å²	110.2	76%	0.761	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	-5.9	-167.5	-68.6	-179.9	179.4	172.3	0	115.4	N986 Y990	N986-K988 PolarHBondContact O-N 3.17Å; K988-Y990 VanDerWaalsContact C-N 3.34Å; K988-Y990 PolarHBondContact O-N 3.46Å; K988-Y990 VanDerWaalsContact O-N 3.17Å
989	E	40.3	Very low	62.5	Low	160 Å²	160	107 Å²	107	75%	0.748	55%	0.547	S	S	*	.			trans	-92	52	-172.7	-164.4	135.2	-144.2	0	0	114	N986	N986-E989 PolarHBondContact ND2-OE2 3.47Å
990	Y	47.2	Very low	64.4	Low	126 Å²	126	104.9 Å²	104.9	49%	0.494	54%	0.541	S	S	.	.			trans	-70	133.8	173	-60.5	-80.3	0	0	0	111.3	K988 R992	K988-Y990 VanDerWaalsContact C-N 3.34Å; K988-Y990 PolarHBondContact O-N 3.46Å; K988-Y990 VanDerWaalsContact O-N 3.17Å; Y990-R992 PolarHBondContact O-N 3.49Å
991	P	54	Low	66.5	Low	90 Å²	90	98.2 Å²	98.2	58%	0.584	51%	0.511	S	S	*	.			trans	-65.2	107.2	177.5	25.6	-33.4	0	0	0	110.8	V993	P991-V993 PolarHBondContact O-N 2.88Å
992	R	68.1	Low	68.8	Low	207 Å²	207	99.6 Å²	99.6	78%	0.781	52%	0.515	S	S	*	.	S	Bend	trans	-70.4	-15.8	-179.8	-58	-175.7	-176	-165.5	0.4	113.4	Y990 R1037	Y990-R992 PolarHBondContact O-N 3.49Å; R992-R1037 PolarHBondContact O-N 3.46Å; R992-R1037 VanDerWaalsContact O-N 3.17Å
993	V	81.5	Confident	70.5	Confident	68 Å²	68	100 Å²	100	41%	0.412	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.5	-172.3	-174.2	0	0	0	0	108.6	P991 T995 I1034 A1035 R1036	P991-V993 PolarHBondContact O-N 2.88Å; V993-T995 HydrophobicContact CG1-CG2 4.39Å; V993-I1034 HydrophobicContact CG1-CG2 3.42Å; V993-I1034 VanDerWaalsContact CG1-CG2 3.42Å; V993-A1035 WeakPolarHBondContact CA-O 3.26Å; V993-R1036 HydrophobicContact CG2-CG 4.36Å
994	L	84.7	Confident	72.5	Confident	32 Å²	32	106.1 Å²	106.1	17%	0.168	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.8	172.5	-70.6	171.2	0	0	0	109	M970 Q973 F974 A1035	M970-L994 HydrophobicContact CE-CB 4.27Å; M970-L994 WeakPolarHBondContact CE-O 3.2Å; M970-L994 WeakPolarHBondContact O-CD1 3.14Å; Q973-L994 HydrophobicContact CB-CD1 3.59Å; F974-L994 HydrophobicContact CD1-CD1 3.88Å; F974-L994 HydrophobicContact CD1-CG 4.31Å; F974-L994 HydrophobicContact CD2-CD1 3.99Å; F974-L994 HydrophobicContact CE1-CB 4.46Å; F974-L994 HydrophobicContact CE1-CD1 3.76Å; F974-L994 HydrophobicContact CE1-CG 3.7Å; F974-L994 HydrophobicContact CE2-CB 4.27Å; F974-L994 HydrophobicContact CE2-CD1 3.89Å; F974-L994 HydrophobicContact CE2-CG 4.19Å; F974-L994 HydrophobicContact CG-CD1 4Å; F974-L994 HydrophobicContact CZ-CB 3.91Å; F974-L994 HydrophobicContact CZ-CD1 3.77Å; F974-L994 HydrophobicContact CZ-CG 3.64Å; L994-A1035 PolarHBondContact N-O 3.35Å; L994-A1035 PolarHBondContact O-N 3.1Å
995	T	90.7	Very high	74.6	Confident	85 Å²	85	103.8 Å²	103.8	52%	0.521	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.8	-179.9	64.8	0	0	0	0	112.1	V993 I1033 I1034	V993-T995 HydrophobicContact CG1-CG2 4.39Å; T995-I1033 CarbonylContact C-O 3.5Å; T995-I1033 WeakPolarHBondContact CA-O 3.5Å; T995-I1034 HydrophobicContact CG2-CG1 4.25Å; T995-I1034 HydrophobicContact CG2-CG2 4.45Å
996	H	91.4	Very high	76.3	Confident	47 Å²	47	99.3 Å²	99.3	22%	0.218	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	174.6	179.5	-96.3	0	0	0	110.7	Q966 M970 F998 M1032 I1033	Q966-H996 PolarHBondContact NE2-CD2 3.25Å; M970-H996 HydrophobicContact CE-CB 3.86Å; M970-H996 HydrophobicContact SD-CB 3.49Å; M970-H996 WeakPolarHBondContact SD-CB 3.46Å; H996-F998 AromaticContact CE1-CD2 3.7Å; H996-F998 AromaticContact CE1-CE2 3.68Å; H996-F998 AromaticContact CE1-CG 3.96Å; H996-F998 AromaticContact CE1-CZ 3.97Å; H996-F998 AromaticContact ND1-CD2 3.34Å; H996-F998 VanDerWaalsContact ND1-CD2 3.34Å; H996-F998 WeakPolarHBondContact ND1-CD2 3.47Å; H996-F998 AromaticContact ND1-CE2 3.17Å; H996-F998 WeakPolarHBondContact ND1-CE2 3.44Å; H996-F998 AromaticContact ND1-CZ 3.82Å; H996-M1032 CarbonylContact O-C 3.51Å; H996-M1032 VanDerWaalsContact O-CA 3.27Å; H996-M1032 WeakPolarHBondContact O-CA 3.49Å; H996-M1032 WeakPolarHBondContact O-CG 3.36Å; H996-I1033 PolarHBondContact N-O 3.45Å; H996-I1033 PolarHBondContact O-N 3.17Å
997	R	92.9	Very high	78.5	Confident	172 Å²	172	103.2 Å²	103.2	65%	0.649	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.2	178.9	-62.1	178.9	-170.7	168.8	2.9	109.3	M1032	R997-M1032 HydrophobicContact CG-CB 4.43Å; R997-M1032 HydrophobicContact CG-CE 4.23Å; R997-M1032 HydrophobicContact CG-CG 3.98Å; R997-M1032 HydrophobicContact CG-SD 4.47Å
998	F	93.8	Very high	81	Confident	21 Å²	21	99.8 Å²	99.8	9%	0.092	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-76.4	156.2	172.2	-74.5	-101.8	0	0	0	111	T963 Q966 H996 M1001 I1009 H1030 V1031 I1033	T963-F998 HydrophobicContact CG2-CE1 4.36Å; T963-F998 HydrophobicContact CG2-CZ 4.14Å; Q966-F998 HydrophobicContact CB-CZ 4.27Å; Q966-F998 HydrophobicContact CG-CZ 4.18Å; H996-F998 AromaticContact CE1-CD2 3.7Å; H996-F998 AromaticContact CE1-CE2 3.68Å; H996-F998 AromaticContact CE1-CG 3.96Å; H996-F998 AromaticContact CE1-CZ 3.97Å; H996-F998 AromaticContact ND1-CD2 3.34Å; H996-F998 VanDerWaalsContact ND1-CD2 3.34Å; H996-F998 WeakPolarHBondContact ND1-CD2 3.47Å; H996-F998 AromaticContact ND1-CE2 3.17Å; H996-F998 WeakPolarHBondContact ND1-CE2 3.44Å; H996-F998 AromaticContact ND1-CZ 3.82Å; F998-M1001 HydrophobicContact CB-CE 3.41Å; F998-M1001 VanDerWaalsContact CB-CE 3.41Å; F998-M1001 HydrophobicContact CD1-CE 4.17Å; F998-M1001 HydrophobicContact CG-CE 4.07Å; F998-I1009 HydrophobicContact CB-CD1 4.38Å; F998-I1009 HydrophobicContact CD1-CD1 3.78Å; F998-I1009 HydrophobicContact CD2-CD1 4.1Å; F998-I1009 HydrophobicContact CE1-CD1 4.04Å; F998-I1009 HydrophobicContact CE2-CD1 4.37Å; F998-I1009 HydrophobicContact CG-CD1 3.81Å; F998-I1009 HydrophobicContact CZ-CD1 4.34Å; F998-H1030 WeakPolarHBondContact O-CB 3.38Å; F998-V1031 PolarHBondContact N-O 3.06Å; F998-I1033 HydrophobicContact CD2-CD1 4.3Å; F998-I1033 HydrophobicContact CD2-CG1 4.41Å; F998-I1033 HydrophobicContact CE2-CD1 3.48Å; F998-I1033 VanDerWaalsContact CE2-CD1 3.48Å; F998-I1033 HydrophobicContact CE2-CG1 4.01Å; F998-I1033 HydrophobicContact CZ-CD1 4.26Å
999	P	91.7	Very high	83.5	Confident	96 Å²	96	91.4 Å²	91.4	62%	0.623	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.3	157.4	170.6	-24.5	34.9	0	0	0	113.3	M1001	P999-M1001 WeakPolarHBondContact O-CE 3.47Å; P999-M1001 PolarHBondContact O-N 3.45Å
1000	P	89.2	Confident	86	Confident	79 Å²	79	86.9 Å²	86.9	51%	0.513	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-52.7	134.4	171.9	-27.6	36.3	0	0	0	112.4	N1028 C1029 H1030	P1000-N1028 WeakPolarHBondContact CG-O 3.3Å; P1000-C1029 WeakPolarHBondContact CA-O 3.13Å; P1000-H1030 HydrophobicContact CG-CB 4.5Å
1001	M	90.4	Very high	88.2	Confident	30 Å²	30	82.7 Å²	82.7	15%	0.148	39%	0.388	C	S	.	.			trans	-152.5	163	-173.3	75.5	-176.3	71.6	0	0	114.4	F959 F998 P999 K1005 R1006 I1009 C1029	F959-M1001 HydrophobicContact CE2-CE 4.44Å; F959-M1001 HydrophobicContact CE2-SD 4.15Å; F959-M1001 HydrophobicContact CZ-SD 3.93Å; F998-M1001 HydrophobicContact CB-CE 3.41Å; F998-M1001 VanDerWaalsContact CB-CE 3.41Å; F998-M1001 HydrophobicContact CD1-CE 4.17Å; F998-M1001 HydrophobicContact CG-CE 4.07Å; P999-M1001 WeakPolarHBondContact O-CE 3.47Å; P999-M1001 PolarHBondContact O-N 3.45Å; M1001-K1005 HydrophobicContact CB-CB 4.25Å; M1001-K1005 HydrophobicContact CG-CB 3.87Å; M1001-K1005 HydrophobicContact SD-CB 3.48Å; M1001-K1005 WeakPolarHBondContact SD-CB 3.38Å; M1001-R1006 HydrophobicContact CG-CB 4.46Å; M1001-R1006 HydrophobicContact CG-CG 3.27Å; M1001-R1006 PolarHBondContact O-NE 3.46Å; M1001-R1006 HydrophobicContact SD-CG 3.91Å; M1001-I1009 HydrophobicContact CE-CD1 3.59Å; M1001-I1009 HydrophobicContact SD-CD1 3.68Å; M1001-C1029 PolarHBondContact N-O 3.16Å; M1001-C1029 VanDerWaalsContact N-O 3.1Å
1002	N	90	Very high	90.1	Very high	91 Å²	91	78.4 Å²	78.4	49%	0.487	36%	0.361	S	S	.	.			trans	-64.7	157.1	-177.8	77.8	49.4	0	0	0	112.9	R1004 K1005 R1006	N1002-R1004 PolarHBondContact O-N 2.71Å; N1002-R1004 VanDerWaalsContact O-N 3.13Å; N1002-R1004 WeakPolarHBondContact OD1-CB 3.22Å; N1002-R1004 PolarHBondContact OD1-N 3.29Å; N1002-K1005 PolarHBondContact O-N 3.13Å; N1002-K1005 VanDerWaalsContact O-N 3.16Å; N1002-K1005 PolarHBondContact OD1-N 2.81Å; N1002-R1006 PolarHBondContact O-N 2.78Å
1003	K	88.7	Confident	91.3	Very high	162 Å²	162	68.6 Å²	68.6	70%	0.704	32%	0.324	S	S	*	.	H	α-helix	trans	-57.1	-29.9	-175.7	-175.3	175.9	178.1	179.1	0	113.9	R1007	K1003-R1007 PolarHBondContact O-N 3.13Å; K1003-R1007 VanDerWaalsContact O-N 3.11Å
1004	R	91.1	Very high	91.7	Very high	199 Å²	199	72.8 Å²	72.8	75%	0.751	34%	0.339	S	S	*	.	H	α-helix	trans	-71.8	-47.8	178	-64.8	-177	175.1	170.9	-1.7	111	F952 N1002 R1006 R1007 F1008	F952-R1004 HydrophobicContact CE2-CB 3.98Å; N1002-R1004 PolarHBondContact O-N 2.71Å; N1002-R1004 VanDerWaalsContact O-N 3.13Å; N1002-R1004 WeakPolarHBondContact OD1-CB 3.22Å; N1002-R1004 PolarHBondContact OD1-N 3.29Å; R1004-R1006 PolarHBondContact O-N 2.72Å; R1004-R1007 PolarHBondContact O-N 2.77Å; R1004-F1008 PolarHBondContact O-N 3.28Å
1005	K	93.2	Very high	92	Very high	60 Å²	60	74.4 Å²	74.4	26%	0.261	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-41.7	175	-75	-169.2	166.4	-166.3	0	112.2	F952 F959 M1001 N1002 F1008 I1009	F952-K1005 HydrophobicContact CZ-CG 4.06Å; F959-K1005 HydrophobicContact CD1-CD 4.18Å; F959-K1005 HydrophobicContact CD1-CG 4.05Å; F959-K1005 HydrophobicContact CD2-CD 3.88Å; F959-K1005 HydrophobicContact CE1-CB 3.83Å; F959-K1005 HydrophobicContact CE1-CD 4.09Å; F959-K1005 HydrophobicContact CE1-CG 3.69Å; F959-K1005 HydrophobicContact CE2-CB 4.27Å; F959-K1005 HydrophobicContact CE2-CD 3.78Å; F959-K1005 HydrophobicContact CE2-CG 4.23Å; F959-K1005 HydrophobicContact CG-CD 4.08Å; F959-K1005 HydrophobicContact CG-CG 4.46Å; F959-K1005 HydrophobicContact CZ-CB 3.6Å; F959-K1005 HydrophobicContact CZ-CD 3.88Å; F959-K1005 HydrophobicContact CZ-CG 3.79Å; M1001-K1005 HydrophobicContact CB-CB 4.25Å; M1001-K1005 HydrophobicContact CG-CB 3.87Å; M1001-K1005 HydrophobicContact SD-CB 3.48Å; M1001-K1005 WeakPolarHBondContact SD-CB 3.38Å; N1002-K1005 PolarHBondContact O-N 3.13Å; N1002-K1005 VanDerWaalsContact O-N 3.16Å; N1002-K1005 PolarHBondContact OD1-N 2.81Å; K1005-F1008 PolarHBondContact O-N 2.67Å; K1005-I1009 PolarHBondContact O-N 3.11Å; K1005-I1009 VanDerWaalsContact O-N 3.14Å
1006	R	93.1	Very high	92	Very high	47 Å²	47	70.3 Å²	70.3	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-42.3	175.8	-64.7	-163.5	-90.8	114.4	-8.4	113.2	M1001 N1002 R1004 F1008 I1009 H1010 C1029 V1031	M1001-R1006 HydrophobicContact CG-CB 4.46Å; M1001-R1006 HydrophobicContact CG-CG 3.27Å; M1001-R1006 PolarHBondContact O-NE 3.46Å; M1001-R1006 HydrophobicContact SD-CG 3.91Å; N1002-R1006 PolarHBondContact O-N 2.78Å; R1004-R1006 PolarHBondContact O-N 2.72Å; R1006-F1008 VanDerWaalsContact C-N 3.35Å; R1006-I1009 PolarHBondContact O-N 2.83Å; R1006-H1010 PolarHBondContact O-CD2 2.78Å; R1006-H1010 PolarHBondContact O-N 2.81Å; R1006-H1010 VanDerWaalsContact O-N 3.08Å; R1006-C1029 WeakPolarHBondContact CD-O 3.37Å; R1006-C1029 PolarHBondContact NE-O 3.44Å; R1006-C1029 PolarHBondContact NH1-SG 2.83Å; R1006-C1029 PolarHBondContact NH2-SG 2.93Å; R1006-V1031 HydrophobicContact CB-CG2 3.76Å; R1006-V1031 HydrophobicContact CG-CG2 3.61Å
1007	R	91.6	Very high	91.8	Very high	144 Å²	144	69.4 Å²	69.4	54%	0.543	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-44.7	174	179.6	177	170.6	179.7	-3	111.2	K1003 R1004 I1009 H1010 D1011	K1003-R1007 PolarHBondContact O-N 3.13Å; K1003-R1007 VanDerWaalsContact O-N 3.11Å; R1004-R1007 PolarHBondContact O-N 2.77Å; R1007-I1009 VanDerWaalsContact C-N 3.31Å; R1007-I1009 PolarHBondContact O-N 3.22Å; R1007-H1010 PolarHBondContact O-N 3.09Å; R1007-H1010 VanDerWaalsContact O-N 3.16Å; R1007-D1011 WeakPolarHBondContact CG-OD1 3.07Å; R1007-D1011 IonicContact CZ-OD2 2.66Å; R1007-D1011 IonicContact NE-OD1 3.15Å; R1007-D1011 IonicContact NE-OD2 2.7Å; R1007-D1011 PolarHBondContact NE-OD2 3.33Å; R1007-D1011 IonicContact NH2-OD2 2.95Å; R1007-D1011 WeakPolarHBondContact O-CB 3.43Å; R1007-D1011 VanDerWaalsContact O-CG 3.28Å; R1007-D1011 PolarHBondContact O-N 3.29Å
1008	F	95.3	Very high	91.8	Very high	4 Å²	4	62 Å²	62	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-44.1	177.1	178.2	-94.1	0	0	0	112.4	L949 F952 F959 V960 R1004 K1005 R1006 D1011 I1012 L1053	L949-F1008 HydrophobicContact CD2-CD2 3.68Å; L949-F1008 HydrophobicContact CD2-CE2 3.83Å; F952-F1008 HydrophobicContact CB-CD2 4.24Å; F952-F1008 HydrophobicContact CD1-CB 3.67Å; F952-F1008 HydrophobicContact CD1-CD1 4.25Å; F952-F1008 AromaticContact CD1-CD2 3.19Å; F952-F1008 HydrophobicContact CD1-CD2 3.19Å; F952-F1008 AromaticContact CD1-CE2 3.91Å; F952-F1008 HydrophobicContact CD1-CE2 3.91Å; F952-F1008 AromaticContact CD1-CG 3.4Å; F952-F1008 HydrophobicContact CD1-CG 3.4Å; F952-F1008 VanDerWaalsContact CD1-CG 3.4Å; F952-F1008 HydrophobicContact CE1-CB 3.46Å; F952-F1008 VanDerWaalsContact CE1-CB 3.46Å; F952-F1008 HydrophobicContact CE1-CD1 4.01Å; F952-F1008 AromaticContact CE1-CD2 3.77Å; F952-F1008 HydrophobicContact CE1-CD2 3.77Å; F952-F1008 AromaticContact CE1-CG 3.43Å; F952-F1008 HydrophobicContact CE1-CG 3.43Å; F952-F1008 VanDerWaalsContact CE1-CG 3.43Å; F952-F1008 HydrophobicContact CG-CB 4.28Å; F952-F1008 AromaticContact CG-CD2 3.93Å; F952-F1008 HydrophobicContact CG-CD2 3.93Å; F952-F1008 HydrophobicContact CG-CG 4.32Å; F952-F1008 HydrophobicContact CZ-CB 3.94Å; F952-F1008 HydrophobicContact CZ-CG 4.38Å; F959-F1008 AromaticContact CE1-CD1 3.9Å; F959-F1008 HydrophobicContact CE1-CD1 3.9Å; V960-F1008 HydrophobicContact CB-CE1 4.18Å; V960-F1008 HydrophobicContact CB-CZ 4.06Å; V960-F1008 HydrophobicContact CG1-CE1 3.99Å; V960-F1008 HydrophobicContact CG1-CZ 3.55Å; V960-F1008 HydrophobicContact CG2-CD1 4.23Å; V960-F1008 HydrophobicContact CG2-CE1 3.59Å; V960-F1008 HydrophobicContact CG2-CE2 3.99Å; V960-F1008 HydrophobicContact CG2-CZ 3.46Å; V960-F1008 VanDerWaalsContact CG2-CZ 3.46Å; R1004-F1008 PolarHBondContact O-N 3.28Å; K1005-F1008 PolarHBondContact O-N 2.67Å; R1006-F1008 VanDerWaalsContact C-N 3.35Å; F1008-D1011 PolarHBondContact O-N 2.93Å; F1008-I1012 HydrophobicContact CD1-CG2 4.24Å; F1008-I1012 HydrophobicContact CE1-CB 4.05Å; F1008-I1012 HydrophobicContact CE1-CG1 4.31Å; F1008-I1012 HydrophobicContact CE1-CG2 3.82Å; F1008-I1012 HydrophobicContact CE2-CB 4.38Å; F1008-I1012 HydrophobicContact CZ-CB 3.91Å; F1008-I1012 HydrophobicContact CZ-CD1 4.26Å; F1008-I1012 HydrophobicContact CZ-CG1 3.92Å; F1008-I1012 HydrophobicContact CZ-CG2 4.21Å; F1008-I1012 WeakPolarHBondContact O-CB 3.49Å; F1008-I1012 VanDerWaalsContact O-CG2 3.25Å; F1008-I1012 WeakPolarHBondContact O-CG2 3.41Å; F1008-I1012 PolarHBondContact O-N 3.47Å; F1008-L1053 HydrophobicContact CE2-CD2 3.85Å; F1008-L1053 HydrophobicContact CZ-CD2 4.03Å
1009	I	95.1	Very high	91.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-43.2	176.9	-61.7	178.7	0	0	0	111.3	F959 T963 F998 M1001 K1005 R1006 R1007 V1013 V1031 I1033	F959-I1009 HydrophobicContact CE2-CD1 4.48Å; F959-I1009 HydrophobicContact CZ-CD1 3.97Å; F959-I1009 HydrophobicContact CZ-CG1 4.02Å; T963-I1009 HydrophobicContact CG2-CG1 4.24Å; F998-I1009 HydrophobicContact CB-CD1 4.38Å; F998-I1009 HydrophobicContact CD1-CD1 3.78Å; F998-I1009 HydrophobicContact CD2-CD1 4.1Å; F998-I1009 HydrophobicContact CE1-CD1 4.04Å; F998-I1009 HydrophobicContact CE2-CD1 4.37Å; F998-I1009 HydrophobicContact CG-CD1 3.81Å; F998-I1009 HydrophobicContact CZ-CD1 4.34Å; M1001-I1009 HydrophobicContact CE-CD1 3.59Å; M1001-I1009 HydrophobicContact SD-CD1 3.68Å; K1005-I1009 PolarHBondContact O-N 3.11Å; K1005-I1009 VanDerWaalsContact O-N 3.14Å; R1006-I1009 PolarHBondContact O-N 2.83Å; R1007-I1009 VanDerWaalsContact C-N 3.31Å; R1007-I1009 PolarHBondContact O-N 3.22Å; I1009-V1013 HydrophobicContact CG2-CG2 3.92Å; I1009-V1013 VanDerWaalsContact O-CB 3.28Å; I1009-V1013 WeakPolarHBondContact O-CB 3.31Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.49Å; I1009-V1013 PolarHBondContact O-N 3.5Å; I1009-V1031 HydrophobicContact CB-CG1 4.33Å; I1009-V1031 HydrophobicContact CG2-CB 4.4Å; I1009-V1031 HydrophobicContact CG2-CG1 3.69Å; I1009-I1033 HydrophobicContact CG2-CD1 3.81Å; I1009-I1033 HydrophobicContact CG2-CG1 4.26Å
1010	H	93.1	Very high	91.6	Very high	64 Å²	64	61.5 Å²	61.5	30%	0.296	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-47.1	175.8	-84.4	-112	0	0	0	111.9	R1006 R1007 A1020 T1022	R1006-H1010 PolarHBondContact O-CD2 2.78Å; R1006-H1010 PolarHBondContact O-N 2.81Å; R1006-H1010 VanDerWaalsContact O-N 3.08Å; R1007-H1010 PolarHBondContact O-N 3.09Å; R1007-H1010 VanDerWaalsContact O-N 3.16Å; H1010-A1020 PolarHBondContact CE1-O 3.45Å; H1010-T1022 PolarHBondContact NE2-OG1 2.99Å; H1010-T1022 VanDerWaalsContact NE2-OG1 3.16Å
1011	D	93.5	Very high	91.7	Very high	39 Å²	39	59.6 Å²	59.6	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-71.5	-32.6	-176.3	-64.1	11.1	0	0	0	112.6	H948 L949 R1007 F1008 Y1015	H948-D1011 IonicContact CD2-OD2 3.78Å; H948-D1011 PolarHBondContact CD2-OD2 3.15Å; H948-D1011 IonicContact CE1-OD2 3.67Å; H948-D1011 IonicContact NE2-OD2 2.96Å; H948-D1011 PolarHBondContact NE2-OD2 2.72Å; L949-D1011 HydrophobicContact CD2-CB 3.73Å; R1007-D1011 WeakPolarHBondContact CG-OD1 3.07Å; R1007-D1011 IonicContact CZ-OD2 2.66Å; R1007-D1011 IonicContact NE-OD1 3.15Å; R1007-D1011 IonicContact NE-OD2 2.7Å; R1007-D1011 PolarHBondContact NE-OD2 3.33Å; R1007-D1011 IonicContact NH2-OD2 2.95Å; R1007-D1011 WeakPolarHBondContact O-CB 3.43Å; R1007-D1011 VanDerWaalsContact O-CG 3.28Å; R1007-D1011 PolarHBondContact O-N 3.29Å; F1008-D1011 PolarHBondContact O-N 2.93Å; D1011-Y1015 WeakPolarHBondContact O-CD2 3.1Å; D1011-Y1015 WeakPolarHBondContact O-CE2 3.45Å
1012	I	93.8	Very high	91.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-82.4	-29	-178.5	-164	61.6	0	0	0	113.6	Y945 L949 T963 L967 F1008 E1014 Y1015 Y1016 L1053	Y945-I1012 HydrophobicContact CD1-CD1 4.12Å; Y945-I1012 HydrophobicContact CE1-CD1 3.61Å; L949-I1012 HydrophobicContact CD1-CD1 4.36Å; T963-I1012 HydrophobicContact CG2-CG2 4.34Å; L967-I1012 HydrophobicContact CD1-CG2 4.44Å; F1008-I1012 HydrophobicContact CD1-CG2 4.24Å; F1008-I1012 HydrophobicContact CE1-CB 4.05Å; F1008-I1012 HydrophobicContact CE1-CG1 4.31Å; F1008-I1012 HydrophobicContact CE1-CG2 3.82Å; F1008-I1012 HydrophobicContact CE2-CB 4.38Å; F1008-I1012 HydrophobicContact CZ-CB 3.91Å; F1008-I1012 HydrophobicContact CZ-CD1 4.26Å; F1008-I1012 HydrophobicContact CZ-CG1 3.92Å; F1008-I1012 HydrophobicContact CZ-CG2 4.21Å; F1008-I1012 WeakPolarHBondContact O-CB 3.49Å; F1008-I1012 VanDerWaalsContact O-CG2 3.25Å; F1008-I1012 WeakPolarHBondContact O-CG2 3.41Å; F1008-I1012 PolarHBondContact O-N 3.47Å; I1012-E1014 VanDerWaalsContact C-N 3.31Å; I1012-E1014 PolarHBondContact O-N 3.08Å; I1012-Y1015 PolarHBondContact O-N 2.78Å; I1012-Y1016 HydrophobicContact CG1-CE2 4.43Å; I1012-L1053 HydrophobicContact CD1-CB 4.06Å; I1012-L1053 HydrophobicContact CD1-CD2 3.95Å
1013	V	93.4	Very high	91.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-72.3	-25.7	-171.7	168.1	0	0	0	0	113	L967 I1009 Y1015 Y1016 G1017 M1018 A1020 I1033	L967-V1013 HydrophobicContact CD1-CG2 4.12Å; L967-V1013 HydrophobicContact CD2-CG2 3.87Å; I1009-V1013 HydrophobicContact CG2-CG2 3.92Å; I1009-V1013 VanDerWaalsContact O-CB 3.28Å; I1009-V1013 WeakPolarHBondContact O-CB 3.31Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.49Å; I1009-V1013 PolarHBondContact O-N 3.5Å; V1013-Y1015 VanDerWaalsContact C-N 3.27Å; V1013-Y1015 PolarHBondContact O-N 3.25Å; V1013-Y1016 PolarHBondContact O-N 2.81Å; V1013-G1017 PolarHBondContact O-N 3.45Å; V1013-M1018 HydrophobicContact CG1-CB 3.62Å; V1013-M1018 HydrophobicContact CG1-CG 4.15Å; V1013-M1018 PolarHBondContact O-N 3.05Å; V1013-A1020 HydrophobicContact CB-CB 4.39Å; V1013-A1020 HydrophobicContact CG1-CB 4.22Å; V1013-I1033 HydrophobicContact CG1-CG2 4.19Å; V1013-I1033 HydrophobicContact CG2-CD1 3.56Å; V1013-I1033 HydrophobicContact CG2-CG1 4.41Å
1014	E	89.7	Confident	91.5	Very high	156 Å²	156	55 Å²	55	73%	0.729	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-57.1	-40.1	174.8	-168	166.3	-171.1	0	0	111.6	I1012 Y1016 G1017	I1012-E1014 VanDerWaalsContact C-N 3.31Å; I1012-E1014 PolarHBondContact O-N 3.08Å; E1014-Y1016 PolarHBondContact O-N 3.46Å; E1014-G1017 PolarHBondContact O-N 2.74Å; E1014-G1017 VanDerWaalsContact O-N 3.1Å
1015	Y	90.8	Very high	90.9	Very high	65 Å²	65	50.6 Å²	50.6	26%	0.255	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.1	-20.2	176.5	-63.4	-94.2	0	0	0	114	P943 Y945 P946 L949 D1011 I1012 V1013	P943-Y1015 HydrophobicContact CB-CD1 3.86Å; P943-Y1015 HydrophobicContact CB-CE1 4.16Å; P943-Y1015 HydrophobicContact CG-CD1 4.06Å; Y945-Y1015 HydrophobicContact CD1-CD1 4Å; Y945-Y1015 HydrophobicContact CD1-CD2 4.28Å; Y945-Y1015 AromaticContact CD1-CE1 3.86Å; Y945-Y1015 HydrophobicContact CD1-CE1 3.86Å; Y945-Y1015 HydrophobicContact CD1-CE2 4.16Å; Y945-Y1015 HydrophobicContact CD1-CG 4.22Å; Y945-Y1015 AromaticContact CD1-CZ 3.96Å; Y945-Y1015 AromaticContact CE1-CD1 3.59Å; Y945-Y1015 HydrophobicContact CE1-CD1 3.59Å; Y945-Y1015 AromaticContact CE1-CD2 3.93Å; Y945-Y1015 HydrophobicContact CE1-CD2 3.93Å; Y945-Y1015 AromaticContact CE1-CE1 3.96Å; Y945-Y1015 HydrophobicContact CE1-CE1 3.96Å; Y945-Y1015 HydrophobicContact CE1-CE2 4.28Å; Y945-Y1015 AromaticContact CE1-CG 3.59Å; Y945-Y1015 HydrophobicContact CE1-CG 3.59Å; P946-Y1015 WeakPolarHBondContact CD-OH 3.45Å; L949-Y1015 HydrophobicContact CD1-CE2 3.87Å; D1011-Y1015 WeakPolarHBondContact O-CD2 3.1Å; D1011-Y1015 WeakPolarHBondContact O-CE2 3.45Å; I1012-Y1015 PolarHBondContact O-N 2.78Å; V1013-Y1015 VanDerWaalsContact C-N 3.27Å; V1013-Y1015 PolarHBondContact O-N 3.25Å
1016	Y	90.5	Very high	89.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98.2	1.1	177.7	-74.8	-102	0	0	0	113	E964 L967 I971 I1012 V1013 E1014 M1018 S1040 K1041 L1042 P1043	E964-Y1016 WeakPolarHBondContact CG-OH 3.23Å; L967-Y1016 HydrophobicContact CB-CD1 3.83Å; L967-Y1016 HydrophobicContact CB-CE1 3.86Å; L967-Y1016 HydrophobicContact CB-CG 4.24Å; L967-Y1016 HydrophobicContact CD1-CD1 4.26Å; L967-Y1016 HydrophobicContact CD1-CD2 3.59Å; L967-Y1016 HydrophobicContact CD1-CE1 4.33Å; L967-Y1016 HydrophobicContact CD1-CE2 3.69Å; L967-Y1016 HydrophobicContact CD1-CG 3.89Å; I971-Y1016 HydrophobicContact CD1-CD1 3.74Å; I1012-Y1016 HydrophobicContact CG1-CE2 4.43Å; V1013-Y1016 PolarHBondContact O-N 2.81Å; E1014-Y1016 PolarHBondContact O-N 3.46Å; Y1016-M1018 HydrophobicContact CD1-CE 4.45Å; Y1016-M1018 PolarHBondContact O-N 2.81Å; Y1016-S1040 CarbonylContact O-C 3.54Å; Y1016-S1040 VanDerWaalsContact O-CA 3.29Å; Y1016-S1040 WeakPolarHBondContact O-CA 3.47Å; Y1016-K1041 CarbonylContact C-O 3.55Å; Y1016-K1041 WeakPolarHBondContact CA-O 3.35Å; Y1016-K1041 PolarHBondContact O-N 3.11Å; Y1016-K1041 VanDerWaalsContact O-O 3.1Å; Y1016-L1042 HydrophobicContact CD1-CD2 4.42Å; Y1016-L1042 HydrophobicContact CE1-CD2 4.04Å; Y1016-P1043 HydrophobicContact CD1-CG 4.26Å; Y1016-P1043 HydrophobicContact CD2-CG 3.97Å; Y1016-P1043 VanDerWaalsContact CE1-CD 3.46Å; Y1016-P1043 HydrophobicContact CE1-CG 4.03Å; Y1016-P1043 HydrophobicContact CE2-CG 3.71Å; Y1016-P1043 HydrophobicContact CG-CG 4.25Å
1017	G	87.6	Confident	88.9	Confident	28 Å²	28	53.9 Å²	53.9	29%	0.289	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	37.7	-179.7	0	0	0	0	0	113.7	V1013 E1014 Y1039 S1040	V1013-G1017 PolarHBondContact O-N 3.45Å; E1014-G1017 PolarHBondContact O-N 2.74Å; E1014-G1017 VanDerWaalsContact O-N 3.1Å; G1017-Y1039 CarbonylContact O-C 3.39Å; G1017-S1040 WeakPolarHBondContact O-CA 3.25Å; G1017-S1040 WeakPolarHBondContact O-CB 3.37Å; G1017-S1040 PolarHBondContact O-N 3.38Å; G1017-S1040 PolarHBondContact O-OG 3.05Å
1018	M	91.4	Very high	88.5	Confident	16 Å²	16	52 Å²	52	8%	0.079	31%	0.307	C	S	.	.			trans	-118.4	166.8	172.9	-23.9	-173.7	173.6	0	0	110.9	L967 M970 I971 V1013 Y1016 I1033 I1034 A1035	L967-M1018 HydrophobicContact CB-CE 3.94Å; L967-M1018 HydrophobicContact CD2-CE 3.98Å; L967-M1018 HydrophobicContact CD2-SD 3.71Å; L967-M1018 WeakPolarHBondContact O-CE 3.34Å; M970-M1018 HydrophobicContact CB-CE 4.44Å; M970-M1018 HydrophobicContact SD-SD 4.48Å; I971-M1018 HydrophobicContact CD1-CE 3.56Å; I971-M1018 HydrophobicContact CG1-CE 3.59Å; V1013-M1018 HydrophobicContact CG1-CB 3.62Å; V1013-M1018 HydrophobicContact CG1-CG 4.15Å; V1013-M1018 PolarHBondContact O-N 3.05Å; Y1016-M1018 HydrophobicContact CD1-CE 4.45Å; Y1016-M1018 PolarHBondContact O-N 2.81Å; M1018-I1033 HydrophobicContact CB-CG2 3.94Å; M1018-I1033 HydrophobicContact CG-CG2 4.44Å; M1018-I1033 HydrophobicContact SD-CG2 3.63Å; M1018-I1034 WeakPolarHBondContact CB-O 3.5Å; M1018-A1035 HydrophobicContact CB-CB 4.35Å; M1018-A1035 HydrophobicContact CE-CB 4.38Å; M1018-A1035 HydrophobicContact CG-CB 4.18Å; M1018-A1035 HydrophobicContact SD-CB 3.69Å
1019	E	90.3	Very high	88	Confident	81 Å²	81	52.2 Å²	52.2	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.7	174.1	-61.2	168.9	162.1	0	0	109.7	I1033 I1034 R1036	E1019-I1033 CarbonylContact O-C 3.56Å; E1019-I1033 WeakPolarHBondContact O-CA 3.21Å; E1019-I1034 HydrophobicContact CB-CB 4.29Å; E1019-I1034 PolarHBondContact N-O 2.92Å; E1019-I1034 PolarHBondContact O-N 2.8Å; E1019-R1036 IonicContact OE1-CZ 3.74Å; E1019-R1036 IonicContact OE1-NE 3.41Å; E1019-R1036 IonicContact OE1-NH1 3.99Å; E1019-R1036 PolarHBondContact OE1-NH1 3.47Å; E1019-R1036 IonicContact OE1-NH2 2.68Å; E1019-R1036 PolarHBondContact OE1-NH2 3.26Å; E1019-R1036 IonicContact OE2-CZ 2.76Å; E1019-R1036 IonicContact OE2-NE 3.94Å; E1019-R1036 IonicContact OE2-NH1 3.94Å; E1019-R1036 IonicContact OE2-NH2 3.44Å; E1019-R1036 PolarHBondContact OE2-NH2 3.18Å
1020	A	92.6	Very high	87.9	Confident	26 Å²	26	53.5 Å²	53.5	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.9	174.4	0	0	0	0	0	110.7	H1010 V1013 V1031 M1032	H1010-A1020 PolarHBondContact CE1-O 3.45Å; V1013-A1020 HydrophobicContact CB-CB 4.39Å; V1013-A1020 HydrophobicContact CG1-CB 4.22Å; A1020-V1031 HydrophobicContact CB-CG1 4.32Å; A1020-M1032 WeakPolarHBondContact CA-O 3.23Å
1021	C	91.5	Very high	87.9	Confident	39 Å²	39	50.5 Å²	50.5	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.6	173.7	60.7	0	0	0	0	111	V1031 M1032	C1021-V1031 WeakPolarHBondContact O-CA 3.45Å; C1021-M1032 PolarHBondContact N-O 3.27Å; C1021-M1032 PolarHBondContact O-N 3.5Å
1022	T	92.1	Very high	87.9	Confident	67 Å²	67	50.3 Å²	50.3	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.2	173.6	-73.5	0	0	0	0	108.4	H1010 C1029 H1030	H1010-T1022 PolarHBondContact NE2-OG1 2.99Å; H1010-T1022 VanDerWaalsContact NE2-OG1 3.16Å; T1022-C1029 WeakPolarHBondContact CG2-SG 3.38Å; T1022-H1030 WeakPolarHBondContact CA-O 3.49Å
1023	C	87	Confident	87.9	Confident	28 Å²	28	50.3 Å²	50.3	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.6	-178	-62.2	0	0	0	0	111	C1029 H1030	C1023-C1029 CarbonylContact O-C 3.56Å; C1023-C1029 VanDerWaalsContact O-CA 3.25Å; C1023-C1029 WeakPolarHBondContact O-CA 3.48Å; C1023-C1029 PolarHBondContact O-SG 3.39Å; C1023-H1030 WeakPolarHBondContact CB-CE1 3.25Å; C1023-H1030 PolarHBondContact N-O 3.41Å; C1023-H1030 PolarHBondContact O-N 3.19Å
1024	D	85.5	Confident	87.8	Confident	90 Å²	90	52.3 Å²	52.3	48%	0.481	31%	0.309	S	S	.	.	S	Bend	trans	61.3	154.3	-180	-52.5	-40.3	0	0	0	117	N1028 C1029 H1030	D1024-N1028 HydrophobicContact CB-CB 4.42Å; D1024-C1029 WeakPolarHBondContact O-CB 3.26Å; D1024-C1029 PolarHBondContact O-SG 3.19Å; D1024-H1030 IonicContact OD2-CE1 2.71Å; D1024-H1030 PolarHBondContact OD2-CE1 2.83Å; D1024-H1030 IonicContact OD2-ND1 2.73Å; D1024-H1030 PolarHBondContact OD2-ND1 2.81Å
1025	P	78.4	Confident	87.7	Confident	107 Å²	107	44.9 Å²	44.9	70%	0.695	27%	0.274	S	S	*	.	S	Bend	trans	-71.7	160.5	164.8	31	-34.9	0	0	0	111.6	N1028 C1029	P1025-N1028 PolarHBondContact O-N 2.89Å; P1025-C1029 PolarHBondContact O-N 3.12Å
1026	G	71.5	Confident	87.5	Confident	58 Å²	58	46.4 Å²	46.4	60%	0.598	28%	0.28	S	S	*	.	S	Bend	trans	-66.3	143.8	170.7	0	0	0	0	0	111.3
1027	P	73.2	Confident	86.9	Confident	119 Å²	119	53 Å²	53	77%	0.773	30%	0.304	S	S	*	.	S	Bend	cis	-82.7	-21	11.4	31.6	-35.3	0	0	0	115.5	C1029	P1027-C1029 PolarHBondContact O-N 3.41Å
1028	N	82.5	Confident	86.4	Confident	105 Å²	105	55.4 Å²	55.4	56%	0.561	33%	0.33	S	S	*	.	S	Bend	trans	-71.9	4.8	-171.8	-62.8	-1	0	0	0	114.7	P1000 D1024 P1025 H1030	P1000-N1028 WeakPolarHBondContact CG-O 3.3Å; D1024-N1028 HydrophobicContact CB-CB 4.42Å; P1025-N1028 PolarHBondContact O-N 2.89Å; N1028-H1030 PolarHBondContact O-N 3.19Å
1029	C	84.9	Confident	86	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.047	36%	0.358	C	S	.	.			trans	-65.6	118.2	-170.4	-168.2	0	0	0	0	113.1	P1000 M1001 R1006 T1022 C1023 D1024 P1025 P1027	P1000-C1029 WeakPolarHBondContact CA-O 3.13Å; M1001-C1029 PolarHBondContact N-O 3.16Å; M1001-C1029 VanDerWaalsContact N-O 3.1Å; R1006-C1029 WeakPolarHBondContact CD-O 3.37Å; R1006-C1029 PolarHBondContact NE-O 3.44Å; R1006-C1029 PolarHBondContact NH1-SG 2.83Å; R1006-C1029 PolarHBondContact NH2-SG 2.93Å; T1022-C1029 WeakPolarHBondContact CG2-SG 3.38Å; C1023-C1029 CarbonylContact O-C 3.56Å; C1023-C1029 VanDerWaalsContact O-CA 3.25Å; C1023-C1029 WeakPolarHBondContact O-CA 3.48Å; C1023-C1029 PolarHBondContact O-SG 3.39Å; D1024-C1029 WeakPolarHBondContact O-CB 3.26Å; D1024-C1029 PolarHBondContact O-SG 3.19Å; P1025-C1029 PolarHBondContact O-N 3.12Å; P1027-C1029 PolarHBondContact O-N 3.41Å
1030	H	92	Very high	85.7	Confident	28 Å²	28	59.7 Å²	59.7	13%	0.13	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-179.9	-172.1	74.5	-92	0	0	0	112.1	F998 P1000 T1022 C1023 D1024 N1028	F998-H1030 WeakPolarHBondContact O-CB 3.38Å; P1000-H1030 HydrophobicContact CG-CB 4.5Å; T1022-H1030 WeakPolarHBondContact CA-O 3.49Å; C1023-H1030 WeakPolarHBondContact CB-CE1 3.25Å; C1023-H1030 PolarHBondContact N-O 3.41Å; C1023-H1030 PolarHBondContact O-N 3.19Å; D1024-H1030 IonicContact OD2-CE1 2.71Å; D1024-H1030 PolarHBondContact OD2-CE1 2.83Å; D1024-H1030 IonicContact OD2-ND1 2.73Å; D1024-H1030 PolarHBondContact OD2-ND1 2.81Å; N1028-H1030 PolarHBondContact O-N 3.19Å
1031	V	93.4	Very high	85.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131	175.2	-179.5	0	0	0	0	109.3	F998 R1006 I1009 A1020 C1021 I1033	F998-V1031 PolarHBondContact N-O 3.06Å; R1006-V1031 HydrophobicContact CB-CG2 3.76Å; R1006-V1031 HydrophobicContact CG-CG2 3.61Å; I1009-V1031 HydrophobicContact CB-CG1 4.33Å; I1009-V1031 HydrophobicContact CG2-CB 4.4Å; I1009-V1031 HydrophobicContact CG2-CG1 3.69Å; A1020-V1031 HydrophobicContact CB-CG1 4.32Å; C1021-V1031 WeakPolarHBondContact O-CA 3.45Å; V1031-I1033 HydrophobicContact CG1-CG1 4.49Å
1032	M	93.9	Very high	85.1	Confident	36 Å²	36	63.3 Å²	63.3	18%	0.177	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.8	169.9	-172.1	-175.6	-39	0	0	109	H996 R997 A1020 C1021	H996-M1032 CarbonylContact O-C 3.51Å; H996-M1032 VanDerWaalsContact O-CA 3.27Å; H996-M1032 WeakPolarHBondContact O-CA 3.49Å; H996-M1032 WeakPolarHBondContact O-CG 3.36Å; R997-M1032 HydrophobicContact CG-CB 4.43Å; R997-M1032 HydrophobicContact CG-CE 4.23Å; R997-M1032 HydrophobicContact CG-CG 3.98Å; R997-M1032 HydrophobicContact CG-SD 4.47Å; A1020-M1032 WeakPolarHBondContact CA-O 3.23Å; C1021-M1032 PolarHBondContact N-O 3.27Å; C1021-M1032 PolarHBondContact O-N 3.5Å
1033	I	93.7	Very high	84.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.9	176.2	-57.6	-171.7	0	0	0	108.7	L967 M970 T995 H996 F998 I1009 V1013 M1018 E1019 V1031	L967-I1033 HydrophobicContact CD2-CD1 3.51Å; L967-I1033 HydrophobicContact CD2-CG2 4.38Å; M970-I1033 HydrophobicContact CE-CB 4.47Å; M970-I1033 HydrophobicContact CE-CG2 4.19Å; M970-I1033 HydrophobicContact SD-CB 4.5Å; M970-I1033 HydrophobicContact SD-CG2 4.27Å; T995-I1033 CarbonylContact C-O 3.5Å; T995-I1033 WeakPolarHBondContact CA-O 3.5Å; H996-I1033 PolarHBondContact N-O 3.45Å; H996-I1033 PolarHBondContact O-N 3.17Å; F998-I1033 HydrophobicContact CD2-CD1 4.3Å; F998-I1033 HydrophobicContact CD2-CG1 4.41Å; F998-I1033 HydrophobicContact CE2-CD1 3.48Å; F998-I1033 VanDerWaalsContact CE2-CD1 3.48Å; F998-I1033 HydrophobicContact CE2-CG1 4.01Å; F998-I1033 HydrophobicContact CZ-CD1 4.26Å; I1009-I1033 HydrophobicContact CG2-CD1 3.81Å; I1009-I1033 HydrophobicContact CG2-CG1 4.26Å; V1013-I1033 HydrophobicContact CG1-CG2 4.19Å; V1013-I1033 HydrophobicContact CG2-CD1 3.56Å; V1013-I1033 HydrophobicContact CG2-CG1 4.41Å; M1018-I1033 HydrophobicContact CB-CG2 3.94Å; M1018-I1033 HydrophobicContact CG-CG2 4.44Å; M1018-I1033 HydrophobicContact SD-CG2 3.63Å; E1019-I1033 CarbonylContact O-C 3.56Å; E1019-I1033 WeakPolarHBondContact O-CA 3.21Å; V1031-I1033 HydrophobicContact CG1-CG1 4.49Å
1034	I	91.2	Very high	83.6	Confident	43 Å²	43	60.4 Å²	60.4	22%	0.221	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	106	178.9	-52.2	175.5	0	0	0	107.5	V993 T995 M1018 E1019	V993-I1034 HydrophobicContact CG1-CG2 3.42Å; V993-I1034 VanDerWaalsContact CG1-CG2 3.42Å; T995-I1034 HydrophobicContact CG2-CG1 4.25Å; T995-I1034 HydrophobicContact CG2-CG2 4.45Å; M1018-I1034 WeakPolarHBondContact CB-O 3.5Å; E1019-I1034 HydrophobicContact CB-CB 4.29Å; E1019-I1034 PolarHBondContact N-O 2.92Å; E1019-I1034 PolarHBondContact O-N 2.8Å
1035	A	88.2	Confident	82.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.1	174.4	0	0	0	0	0	110	M970 F974 V993 L994 M1018 S1040	M970-A1035 HydrophobicContact CB-CB 4.44Å; M970-A1035 HydrophobicContact CE-CB 3.81Å; F974-A1035 HydrophobicContact CE2-CB 3.72Å; F974-A1035 HydrophobicContact CZ-CB 4.47Å; F974-A1035 WeakPolarHBondContact CZ-O 3.36Å; V993-A1035 WeakPolarHBondContact CA-O 3.26Å; L994-A1035 PolarHBondContact N-O 3.35Å; L994-A1035 PolarHBondContact O-N 3.1Å; M1018-A1035 HydrophobicContact CB-CB 4.35Å; M1018-A1035 HydrophobicContact CE-CB 4.38Å; M1018-A1035 HydrophobicContact CG-CB 4.18Å; M1018-A1035 HydrophobicContact SD-CB 3.69Å; A1035-S1040 WeakPolarHBondContact CA-OG 3.42Å
1036	R	85.3	Confident	81.7	Confident	97 Å²	97	56 Å²	56	37%	0.366	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.4	-177.3	-63.2	-174.6	-179.4	148.5	3.1	111.3	V993 E1019 G1038 Y1039 S1040	V993-R1036 HydrophobicContact CG2-CG 4.36Å; E1019-R1036 IonicContact OE1-CZ 3.74Å; E1019-R1036 IonicContact OE1-NE 3.41Å; E1019-R1036 IonicContact OE1-NH1 3.99Å; E1019-R1036 PolarHBondContact OE1-NH1 3.47Å; E1019-R1036 IonicContact OE1-NH2 2.68Å; E1019-R1036 PolarHBondContact OE1-NH2 3.26Å; E1019-R1036 IonicContact OE2-CZ 2.76Å; E1019-R1036 IonicContact OE2-NE 3.94Å; E1019-R1036 IonicContact OE2-NH1 3.94Å; E1019-R1036 IonicContact OE2-NH2 3.44Å; E1019-R1036 PolarHBondContact OE2-NH2 3.18Å; R1036-G1038 PolarHBondContact O-N 2.99Å; R1036-Y1039 HydrophobicContact CB-CD2 4.08Å; R1036-Y1039 PolarHBondContact O-N 3.44Å; R1036-Y1039 VanDerWaalsContact O-N 3.11Å; R1036-S1040 PolarHBondContact N-OG 3.36Å; R1036-S1040 PolarHBondContact O-N 3.36Å; R1036-S1040 PolarHBondContact O-OG 3.09Å
1037	R	77.9	Confident	81.3	Confident	137 Å²	137	58.5 Å²	58.5	52%	0.517	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.7	176.2	-167	-178.7	-176.6	100.6	-1.6	109.7	F974 S977 R992 Y1039	F974-R1037 HydrophobicContact CD1-CB 3.94Å; F974-R1037 HydrophobicContact CD1-CG 4.33Å; F974-R1037 HydrophobicContact CE1-CB 3.96Å; F974-R1037 HydrophobicContact CG-CB 4.42Å; F974-R1037 HydrophobicContact CZ-CB 4.45Å; F974-R1037 PolarHBondContact O-NH1 3.37Å; S977-R1037 PolarHBondContact OG-NH1 2.79Å; R992-R1037 PolarHBondContact O-N 3.46Å; R992-R1037 VanDerWaalsContact O-N 3.17Å; R1037-Y1039 VanDerWaalsContact C-N 3.35Å
1038	G	77.8	Confident	80.8	Confident	80 Å²	80	54.8 Å²	54.8	83%	0.825	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-12	-178.4	0	0	0	0	0	115.9	R1036	R1036-G1038 PolarHBondContact O-N 2.99Å
1039	Y	82.6	Confident	80	Confident	171 Å²	171	51.3 Å²	51.3	67%	0.671	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-42.7	175.7	-67.1	-93.3	0	0	0	112.1	G1017 R1036 R1037	G1017-Y1039 CarbonylContact O-C 3.39Å; R1036-Y1039 HydrophobicContact CB-CD2 4.08Å; R1036-Y1039 PolarHBondContact O-N 3.44Å; R1036-Y1039 VanDerWaalsContact O-N 3.11Å; R1037-Y1039 VanDerWaalsContact C-N 3.35Å
1040	S	85.3	Confident	79.2	Confident	16 Å²	16	57.7 Å²	57.7	11%	0.112	30%	0.301	C	S	.	.			trans	-81.3	128.3	-176.9	-52	0	0	0	0	111.7	Y1016 G1017 A1035 R1036	Y1016-S1040 CarbonylContact O-C 3.54Å; Y1016-S1040 VanDerWaalsContact O-CA 3.29Å; Y1016-S1040 WeakPolarHBondContact O-CA 3.47Å; G1017-S1040 WeakPolarHBondContact O-CA 3.25Å; G1017-S1040 WeakPolarHBondContact O-CB 3.37Å; G1017-S1040 PolarHBondContact O-N 3.38Å; G1017-S1040 PolarHBondContact O-OG 3.05Å; A1035-S1040 WeakPolarHBondContact CA-OG 3.42Å; R1036-S1040 PolarHBondContact N-OG 3.36Å; R1036-S1040 PolarHBondContact O-N 3.36Å; R1036-S1040 PolarHBondContact O-OG 3.09Å
1041	K	85.6	Confident	78.6	Confident	135 Å²	135	56.4 Å²	56.4	59%	0.587	30%	0.295	S	S	*	.			trans	-146.2	162.5	-171.1	64.1	179	-179.3	177.8	0	111.5	I971 Y1016	I971-K1041 WeakPolarHBondContact CD1-O 3.2Å; Y1016-K1041 CarbonylContact C-O 3.55Å; Y1016-K1041 WeakPolarHBondContact CA-O 3.35Å; Y1016-K1041 PolarHBondContact O-N 3.11Å; Y1016-K1041 VanDerWaalsContact O-O 3.1Å
1042	L	85.1	Confident	78.3	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	30%	0.295	C	S	.	.			trans	-77.8	143.2	172.7	-69	173.4	0	0	0	110.9	R968 I971 M972 Y1016 G1045 S1046	R968-L1042 HydrophobicContact CB-CD2 4.4Å; R968-L1042 HydrophobicContact CG-CD2 4.26Å; I971-L1042 HydrophobicContact CD1-CD2 3.92Å; I971-L1042 HydrophobicContact CD1-CG 4.33Å; I971-L1042 HydrophobicContact CG2-CG 4.39Å; M972-L1042 HydrophobicContact CE-CD1 4.13Å; Y1016-L1042 HydrophobicContact CD1-CD2 4.42Å; Y1016-L1042 HydrophobicContact CE1-CD2 4.04Å; L1042-G1045 WeakPolarHBondContact O-CA 3.46Å; L1042-G1045 PolarHBondContact O-N 3.3Å; L1042-S1046 WeakPolarHBondContact CD1-O 3.31Å
1043	P	78.1	Confident	78.1	Confident	7 Å²	7	54.7 Å²	54.7	5%	0.045	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	139.5	165.5	-29.7	37.2	0	0	0	112.1	P943 Y1016 G1045 G1051	P943-P1043 HydrophobicContact CG-CB 4.06Å; Y1016-P1043 HydrophobicContact CD1-CG 4.26Å; Y1016-P1043 HydrophobicContact CD2-CG 3.97Å; Y1016-P1043 VanDerWaalsContact CE1-CD 3.46Å; Y1016-P1043 HydrophobicContact CE1-CG 4.03Å; Y1016-P1043 HydrophobicContact CE2-CG 3.71Å; Y1016-P1043 HydrophobicContact CG-CG 4.25Å; P1043-G1045 PolarHBondContact O-N 3.28Å; P1043-G1051 VanDerWaalsContact CB-O 3.27Å; P1043-G1051 WeakPolarHBondContact CB-O 3.39Å
1044	A	70	Confident	77.8	Confident	27 Å²	27	54.9 Å²	54.9	22%	0.223	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	12.1	-169.7	0	0	0	0	0	116.1	S1046	A1044-S1046 PolarHBondContact O-N 3.14Å
1045	G	63	Low	77.6	Confident	49 Å²	49	55 Å²	55	51%	0.505	29%	0.289	S	S	.	.	S	Bend	trans	71.3	-22.1	167.6	0	0	0	0	0	117.1	L1042 P1043	L1042-G1045 WeakPolarHBondContact O-CA 3.46Å; L1042-G1045 PolarHBondContact O-N 3.3Å; P1043-G1045 PolarHBondContact O-N 3.28Å
1046	S	61.5	Low	77.5	Confident	54 Å²	54	55.5 Å²	55.5	38%	0.378	29%	0.292	S	S	.	.	S	Bend	trans	-67.7	154.4	179.5	-172.7	0	0	0	0	112.9	L1042 A1044 S1048	L1042-S1046 WeakPolarHBondContact CD1-O 3.31Å; A1044-S1046 PolarHBondContact O-N 3.14Å; S1046-S1048 WeakPolarHBondContact CB-OG 3.06Å; S1046-S1048 PolarHBondContact O-N 3.28Å; S1046-S1048 PolarHBondContact OG-N 3.03Å; S1046-S1048 VanDerWaalsContact OG-N 3.09Å; S1046-S1048 PolarHBondContact OG-OG 2.83Å
1047	M	62.7	Low	77.6	Confident	111 Å²	111	51 Å²	51	55%	0.547	28%	0.275	S	S	.	.	S	Bend	trans	-66.4	-19	164	-66.7	-62	94.4	0	0	112.6	M972 L975	M972-M1047 HydrophobicContact CE-SD 4.5Å; L975-M1047 HydrophobicContact CD1-CE 3.92Å; L975-M1047 HydrophobicContact CD1-SD 3.73Å
1048	S	62.5	Low	77.9	Confident	41 Å²	41	48.1 Å²	48.1	29%	0.287	27%	0.266	S	S	.	.	S	Bend	trans	-77.1	136.3	172.2	73.2	0	0	0	0	110.6	S1046 R1050	S1046-S1048 WeakPolarHBondContact CB-OG 3.06Å; S1046-S1048 PolarHBondContact O-N 3.28Å; S1046-S1048 PolarHBondContact OG-N 3.03Å; S1046-S1048 VanDerWaalsContact OG-N 3.09Å; S1046-S1048 PolarHBondContact OG-OG 2.83Å; S1048-R1050 PolarHBondContact O-N 2.83Å; S1048-R1050 WeakPolarHBondContact OG-CG 3.4Å
1049	N	66	Low	78	Confident	32 Å²	32	53.1 Å²	53.1	17%	0.171	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-72.9	18.8	-179.3	-158	56.6	0	0	0	113.2	G1051 S1052 N1055	N1049-G1051 VanDerWaalsContact C-N 3.27Å; N1049-G1051 PolarHBondContact O-N 2.98Å; N1049-S1052 PolarHBondContact ND2-OG 3.29Å; N1049-S1052 PolarHBondContact O-N 2.83Å; N1049-N1055 PolarHBondContact ND2-ND2 3.19Å; N1049-N1055 PolarHBondContact O-ND2 3.42Å
1050	R	68.7	Low	77.7	Confident	142 Å²	142	49.7 Å²	49.7	54%	0.536	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.6	-32.6	-169.6	-75.9	-179.4	176.2	-165	-1.1	113.1	C938 S1048 S1052	C938-R1050 PolarHBondContact SG-NH1 3.43Å; S1048-R1050 PolarHBondContact O-N 2.83Å; S1048-R1050 WeakPolarHBondContact OG-CG 3.4Å; R1050-S1052 PolarHBondContact O-N 2.91Å
1051	G	77.6	Confident	76.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-82	-0.3	-178.7	0	0	0	0	0	116	Y945 P1043 N1049	Y945-G1051 WeakPolarHBondContact CE2-O 3.36Å; Y945-G1051 PolarHBondContact OH-O 3.34Å; Y945-G1051 VanDerWaalsContact OH-O 3.13Å; P1043-G1051 VanDerWaalsContact CB-O 3.27Å; P1043-G1051 WeakPolarHBondContact CB-O 3.39Å; N1049-G1051 VanDerWaalsContact C-N 3.27Å; N1049-G1051 PolarHBondContact O-N 2.98Å
1052	S	87	Confident	75.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.264	C	S	.	.	S	Bend	trans	-73.2	152.5	-177.6	96.8	0	0	0	0	112.3	E964 N1049 R1050 T1054 N1055 V1056	E964-S1052 VanDerWaalsContact CD-CB 3.49Å; E964-S1052 WeakPolarHBondContact OE1-CB 3.38Å; E964-S1052 WeakPolarHBondContact OE2-CB 3.37Å; E964-S1052 PolarHBondContact OE2-OG 3.13Å; N1049-S1052 PolarHBondContact ND2-OG 3.29Å; N1049-S1052 PolarHBondContact O-N 2.83Å; R1050-S1052 PolarHBondContact O-N 2.91Å; S1052-T1054 VanDerWaalsContact C-N 3.27Å; S1052-T1054 PolarHBondContact O-N 3.08Å; S1052-N1055 CarbonylContact O-C 3.48Å; S1052-N1055 PolarHBondContact O-N 2.91Å; S1052-N1055 PolarHBondContact OG-N 3.15Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.29Å; S1052-V1056 PolarHBondContact O-N 3.01Å
1053	L	89.9	Confident	74	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-38.1	-179	174.6	62.1	0	0	0	111.5	Y945 L949 K950 A953 E964 F1008 I1012 N1055 V1056 L1057	Y945-L1053 HydrophobicContact CD1-CB 4.33Å; Y945-L1053 HydrophobicContact CD1-CD1 4.39Å; Y945-L1053 HydrophobicContact CD2-CB 4.08Å; Y945-L1053 HydrophobicContact CD2-CD1 3.84Å; Y945-L1053 HydrophobicContact CE1-CB 4.16Å; Y945-L1053 HydrophobicContact CE2-CB 3.89Å; Y945-L1053 HydrophobicContact CG-CB 4.29Å; Y945-L1053 HydrophobicContact CG-CD1 3.76Å; L949-L1053 HydrophobicContact CB-CD2 3.97Å; K950-L1053 HydrophobicContact CG-CD1 4.12Å; A953-L1053 HydrophobicContact CB-CD2 3.86Å; A953-L1053 HydrophobicContact CB-CG 4.22Å; E964-L1053 WeakPolarHBondContact OE1-CA 3.37Å; E964-L1053 WeakPolarHBondContact OE1-CB 3.26Å; E964-L1053 PolarHBondContact OE1-N 3.44Å; F1008-L1053 HydrophobicContact CE2-CD2 3.85Å; F1008-L1053 HydrophobicContact CZ-CD2 4.03Å; I1012-L1053 HydrophobicContact CD1-CB 4.06Å; I1012-L1053 HydrophobicContact CD1-CD2 3.95Å; L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.1Å; L1053-V1056 PolarHBondContact O-N 3.35Å; L1053-L1057 HydrophobicContact CD1-CD1 3.86Å; L1053-L1057 HydrophobicContact CD1-CG 4Å; L1053-L1057 HydrophobicContact CG-CD1 4Å; L1053-L1057 WeakPolarHBondContact O-CB 3.26Å; L1053-L1057 VanDerWaalsContact O-CG 3.31Å; L1053-L1057 WeakPolarHBondContact O-CG 3.31Å; L1053-L1057 PolarHBondContact O-N 2.91Å
1054	T	89.1	Confident	73.1	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-39.5	174.4	-52.6	0	0	0	0	111.5	F957 E961 E964 S1052 K1058	F957-T1054 HydrophobicContact CE1-CG2 3.6Å; F957-T1054 HydrophobicContact CE2-CG2 4.29Å; F957-T1054 HydrophobicContact CZ-CG2 3.37Å; E961-T1054 HydrophobicContact CB-CG2 4.22Å; E961-T1054 HydrophobicContact CG-CG2 4.1Å; E964-T1054 VanDerWaalsContact CD-OG1 3.28Å; E964-T1054 PolarHBondContact OE1-N 2.98Å; E964-T1054 WeakPolarHBondContact OE2-CB 3.08Å; E964-T1054 PolarHBondContact OE2-N 3.05Å; E964-T1054 PolarHBondContact OE2-OG1 3.08Å; S1052-T1054 VanDerWaalsContact C-N 3.27Å; S1052-T1054 PolarHBondContact O-N 3.08Å; T1054-K1058 HydrophobicContact CG2-CD 4.39Å; T1054-K1058 VanDerWaalsContact O-CG 3.26Å; T1054-K1058 WeakPolarHBondContact O-CG 3.44Å; T1054-K1058 PolarHBondContact O-N 3.35Å; T1054-K1058 VanDerWaalsContact O-N 3.09Å
1055	N	85.5	Confident	72.1	Confident	45 Å²	45	57.6 Å²	57.6	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-83.6	-32.2	-178.5	-76.5	-25.7	0	0	0	113.3	N1049 S1052 L1053 K1058 R1059	N1049-N1055 PolarHBondContact ND2-ND2 3.19Å; N1049-N1055 PolarHBondContact O-ND2 3.42Å; S1052-N1055 CarbonylContact O-C 3.48Å; S1052-N1055 PolarHBondContact O-N 2.91Å; S1052-N1055 PolarHBondContact OG-N 3.15Å; L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.1Å; N1055-K1058 PolarHBondContact O-N 2.56Å; N1055-R1059 WeakPolarHBondContact O-CG 3.3Å; N1055-R1059 PolarHBondContact O-N 2.95Å; N1055-R1059 VanDerWaalsContact O-N 3.15Å
1056	V	86.6	Confident	71.4	Confident	12 Å²	12	64.4 Å²	64.4	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-47.9	167.5	171	0	0	0	0	109.9	P942 Y945 S1052 L1053 K1058 R1059 E1060	P942-V1056 HydrophobicContact CB-CG2 4.14Å; Y945-V1056 HydrophobicContact CD2-CG2 4.3Å; Y945-V1056 HydrophobicContact CE2-CG2 4.16Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.29Å; S1052-V1056 PolarHBondContact O-N 3.01Å; L1053-V1056 PolarHBondContact O-N 3.35Å; V1056-K1058 PolarHBondContact O-N 2.86Å; V1056-R1059 WeakPolarHBondContact O-CA 3.26Å; V1056-R1059 WeakPolarHBondContact O-CB 3.08Å; V1056-R1059 PolarHBondContact O-N 3.4Å; V1056-E1060 HydrophobicContact CG1-CG 4.12Å; V1056-E1060 WeakPolarHBondContact CG1-OE1 3.4Å; V1056-E1060 WeakPolarHBondContact O-CG 3.05Å; V1056-E1060 PolarHBondContact O-N 2.8Å
1057	L	86.8	Confident	70.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-67.4	-32.7	178.3	-69.5	171.2	0	0	0	113.6	K950 A953 L954 F957 L1053 R1059 C1061	K950-L1057 HydrophobicContact CB-CD2 4.08Å; K950-L1057 HydrophobicContact CG-CD2 4.17Å; A953-L1057 HydrophobicContact CB-CD1 3.46Å; A953-L1057 VanDerWaalsContact CB-CD1 3.46Å; L954-L1057 HydrophobicContact CD1-CD2 4.35Å; L954-L1057 HydrophobicContact CD2-CD2 4.3Å; L954-L1057 HydrophobicContact CG-CD1 4.34Å; L954-L1057 HydrophobicContact CG-CD2 4.15Å; F957-L1057 HydrophobicContact CE2-CB 4.48Å; L1053-L1057 HydrophobicContact CD1-CD1 3.86Å; L1053-L1057 HydrophobicContact CD1-CG 4Å; L1053-L1057 HydrophobicContact CG-CD1 4Å; L1053-L1057 WeakPolarHBondContact O-CB 3.26Å; L1053-L1057 VanDerWaalsContact O-CG 3.31Å; L1053-L1057 WeakPolarHBondContact O-CG 3.31Å; L1053-L1057 PolarHBondContact O-N 2.91Å; L1057-R1059 PolarHBondContact O-N 3.4Å; L1057-C1061 PolarHBondContact O-N 3.08Å
1058	K	83.7	Confident	69.1	Low	77 Å²	77	65 Å²	65	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-25.1	170.9	-76.8	167.5	-179.3	171	0	112.8	F957 E961 T1054 N1055 V1056 V1065	F957-K1058 HydrophobicContact CZ-CD 4.47Å; F957-K1058 HydrophobicContact CZ-CG 4.19Å; E961-K1058 IonicContact OE1-NZ 2.65Å; E961-K1058 PolarHBondContact OE1-NZ 3.3Å; T1054-K1058 HydrophobicContact CG2-CD 4.39Å; T1054-K1058 VanDerWaalsContact O-CG 3.26Å; T1054-K1058 WeakPolarHBondContact O-CG 3.44Å; T1054-K1058 PolarHBondContact O-N 3.35Å; T1054-K1058 VanDerWaalsContact O-N 3.09Å; N1055-K1058 PolarHBondContact O-N 2.56Å; V1056-K1058 PolarHBondContact O-N 2.86Å; K1058-V1065 HydrophobicContact CG-CG1 4.43Å
1059	R	80.4	Confident	67.6	Low	186 Å²	186	70.6 Å²	70.6	70%	0.702	38%	0.38	S	S	*	.	H	α-helix	trans	-86.2	-42.4	172.7	-71.1	174.7	64.7	-163.8	0.7	113.3	N1055 V1056 L1057	N1055-R1059 WeakPolarHBondContact O-CG 3.3Å; N1055-R1059 PolarHBondContact O-N 2.95Å; N1055-R1059 VanDerWaalsContact O-N 3.15Å; V1056-R1059 WeakPolarHBondContact O-CA 3.26Å; V1056-R1059 WeakPolarHBondContact O-CB 3.08Å; V1056-R1059 PolarHBondContact O-N 3.4Å; L1057-R1059 PolarHBondContact O-N 3.4Å
1060	E	76.7	Confident	66	Low	99 Å²	99	75.8 Å²	75.8	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-77.9	-26.7	-176.2	-70.3	-179.1	171.9	0	0	113.7	K950 V1056 P1062	K950-E1060 WeakPolarHBondContact CE-OE2 3.48Å; K950-E1060 IonicContact NZ-OE1 3.97Å; K950-E1060 PolarHBondContact NZ-OE1 3.49Å; K950-E1060 IonicContact NZ-OE2 2.77Å; K950-E1060 PolarHBondContact NZ-OE2 3.16Å; V1056-E1060 HydrophobicContact CG1-CG 4.12Å; V1056-E1060 WeakPolarHBondContact CG1-OE1 3.4Å; V1056-E1060 WeakPolarHBondContact O-CG 3.05Å; V1056-E1060 PolarHBondContact O-N 2.8Å; E1060-P1062 VanDerWaalsContact C-CD 3.47Å
1061	C	64.8	Low	64.1	Low	40 Å²	40	77.1 Å²	77.1	27%	0.27	42%	0.416	S	S	.	.	S	Bend	trans	-132.6	55.3	-174.8	-70.6	0	0	0	0	113.2	L1057 G1063 V1064	L1057-C1061 PolarHBondContact O-N 3.08Å; C1061-G1063 PolarHBondContact O-N 3.38Å; C1061-G1063 VanDerWaalsContact O-N 3.16Å; C1061-V1064 HydrophobicContact CB-CB 4.26Å; C1061-V1064 HydrophobicContact CB-CG2 4.14Å; C1061-V1064 PolarHBondContact O-N 3.17Å
1062	P	57.1	Low	61.7	Low	109 Å²	109	83.4 Å²	83.4	71%	0.708	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	119.2	177.6	26.9	-34.3	0	0	0	110.5	E1060	E1060-P1062 VanDerWaalsContact C-CD 3.47Å
1063	G	56.1	Low	59	Low	74 Å²	74	90.1 Å²	90.1	76%	0.763	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.6	-22.2	-179.4	0	0	0	0	0	115.6	C1061	C1061-G1063 PolarHBondContact O-N 3.38Å; C1061-G1063 VanDerWaalsContact O-N 3.16Å
1064	V	59	Low	56	Low	105 Å²	105	98.5 Å²	98.5	64%	0.636	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.1	175.8	-176.4	0	0	0	0	111.6	L954 C1061	L954-V1064 HydrophobicContact CD2-CG1 4.23Å; C1061-V1064 HydrophobicContact CB-CB 4.26Å; C1061-V1064 HydrophobicContact CB-CG2 4.14Å; C1061-V1064 PolarHBondContact O-N 3.17Å
1065	V	48.6	Very low	53.1	Low	28 Å²	28	105.7 Å²	105.7	17%	0.17	57%	0.567	C	S	.	*			trans	-101.5	112	-176.6	178.6	0	0	0	0	110.3	F957 K1058	F957-V1065 HydrophobicContact CD1-CG1 3.94Å; F957-V1065 HydrophobicContact CD2-CG1 4.19Å; F957-V1065 HydrophobicContact CD2-CG2 3.91Å; F957-V1065 HydrophobicContact CE1-CG1 3.49Å; F957-V1065 VanDerWaalsContact CE1-CG1 3.49Å; F957-V1065 HydrophobicContact CE2-CB 4.32Å; F957-V1065 HydrophobicContact CE2-CG1 3.77Å; F957-V1065 HydrophobicContact CE2-CG2 3.51Å; F957-V1065 HydrophobicContact CG-CG1 4.26Å; F957-V1065 HydrophobicContact CZ-CB 4.34Å; F957-V1065 HydrophobicContact CZ-CG1 3.39Å; F957-V1065 HydrophobicContact CZ-CG2 3.97Å; K1058-V1065 HydrophobicContact CG-CG1 4.43Å
1066	K	49.2	Very low	50.4	Low	193 Å²	193	112.5 Å²	112.5	84%	0.839	59%	0.594	S	S	*	*			trans	-92.4	114.6	165.2	-71.1	-173	176.7	-176.1	0	109.4	S1068	K1066-S1068 PolarHBondContact O-N 3.47Å
1067	P	40.7	Very low	47.7	Very low	90 Å²	90	118.3 Å²	118.3	58%	0.584	63%	0.625	S	S	*	*			trans	-69.7	120.6	174.7	28.2	-32.7	0	0	0	109.9	N1069	P1067-N1069 PolarHBondContact O-N 3.47Å
1068	S	34.3	Very low	44.9	Very low	88 Å²	88	124.3 Å²	124.3	62%	0.615	66%	0.664	S	S	*	*			trans	-76.6	76	172.9	54	0	0	0	0	109.7	K1066 E1070	K1066-S1068 PolarHBondContact O-N 3.47Å; S1068-E1070 PolarHBondContact O-N 2.62Å
1069	N	31.8	Very low	42.3	Very low	157 Å²	157	129.7 Å²	129.7	84%	0.84	69%	0.687	S	S	*	*			trans	-79.7	54.9	-171.5	-159.8	34.9	0	0	0	112.8	P1067	P1067-N1069 PolarHBondContact O-N 3.47Å
1070	E	31.6	Very low	39.9	Very low	141 Å²	141	126.9 Å²	126.9	66%	0.659	69%	0.691	S	S	*	*			trans	-124.2	119.9	169.4	-68.9	-154.7	99.6	0	0	110.2	S1068 K1073	S1068-E1070 PolarHBondContact O-N 2.62Å; E1070-K1073 IonicContact OE1-NZ 3.01Å; E1070-K1073 PolarHBondContact OE1-NZ 2.86Å
1071	Q	28.8	Very low	37.5	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	71%	0.708	S	S	*	*			trans	-55.2	153	164.7	-70.2	173.9	-38.2	0	0	110.1	K1073	Q1071-K1073 VanDerWaalsContact C-N 3.28Å; Q1071-K1073 PolarHBondContact O-N 2.64Å
1072	P	27.2	Very low	35.7	Very low	131 Å²	131	133.4 Å²	133.4	85%	0.851	73%	0.734	S	S	*	*			trans	-67.1	82.9	-176.1	28	-36.1	0	0	0	112.2	L1074	P1072-L1074 PolarHBondContact O-N 3.42Å
1073	K	30.5	Very low	34.6	Very low	142 Å²	142	135.4 Å²	135.4	62%	0.617	74%	0.739	S	S	*	*			trans	-61.6	123.6	170.1	-72.9	172.1	-179	166.2	0	108.6	E1070 Q1071 L1075	E1070-K1073 IonicContact OE1-NZ 3.01Å; E1070-K1073 PolarHBondContact OE1-NZ 2.86Å; Q1071-K1073 VanDerWaalsContact C-N 3.28Å; Q1071-K1073 PolarHBondContact O-N 2.64Å; K1073-L1075 HydrophobicContact CB-CD1 4.39Å; K1073-L1075 PolarHBondContact O-N 3.36Å
1074	L	27.4	Very low	33.4	Very low	176 Å²	176	137.3 Å²	137.3	92%	0.921	74%	0.736	S	S	*	*			trans	-64.3	81.4	163.7	-69.2	164.4	0	0	0	108.8	P1072	P1072-L1074 PolarHBondContact O-N 3.42Å
1075	L	28.4	Very low	32	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-86.4	120.9	-178.5	-142.1	76.7	0	0	0	110	K1073	K1073-L1075 HydrophobicContact CB-CD1 4.39Å; K1073-L1075 PolarHBondContact O-N 3.36Å
1076	K	29.2	Very low	31.1	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.9	157.6	-167.6	-62.3	168.1	179.8	175.3	0	112.7
1077	D	28.7	Very low	30.1	Very low	133 Å²	133	140 Å²	140	71%	0.711	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.6	129.5	-176.1	-49.4	-88.2	0	0	0	114.4	K1079	D1077-K1079 VanDerWaalsContact C-N 3.32Å; D1077-K1079 PolarHBondContact O-N 3.4Å
1078	P	28.8	Very low	29.6	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	78%	0.781	S	S	*	*			trans	-87.1	73.4	155.6	35.1	-30.5	0	0	0	110.1
1079	K	29.8	Very low	29.4	Very low	190 Å²	190	144 Å²	144	83%	0.826	79%	0.791	S	S	*	*	S	Bend	trans	40	143.4	159.3	-64.3	179.9	178.6	178.3	0	120.8	D1077	D1077-K1079 VanDerWaalsContact C-N 3.32Å; D1077-K1079 PolarHBondContact O-N 3.4Å
1080	T	28.5	Very low	29.4	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	79%	0.794	S	S	*	*	S	Bend	trans	100.2	110.4	163.8	-29.5	0	0	0	0	115.5
1081	D	26.5	Very low	29.4	Very low	155 Å²	155	142.6 Å²	142.6	83%	0.829	79%	0.793	S	S	*	*	S	Bend	trans	55.7	62.7	156.8	-61.5	3.1	0	0	0	120.3
1082	C	28.5	Very low	29.6	Very low	121 Å²	121	140.4 Å²	140.4	82%	0.818	79%	0.792	S	S	*	*			trans	-166.9	138.7	138.2	-113.9	0	0	0	0	110.7
1083	N	32.2	Very low	30	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	79%	0.791	S	S	*	*			trans	-156.7	153.3	157.3	-123	-46.8	0	0	0	112.8
1084	V	31.8	Very low	30.9	Very low	114 Å²	114	137.8 Å²	137.8	69%	0.691	78%	0.781	S	S	*	*			trans	-119.1	142.9	-165	177	0	0	0	0	111.1
1085	L	29.1	Very low	31.5	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	77%	0.772	S	S	*	*			trans	-111.1	116.5	162.5	-74.3	176.8	0	0	0	110.2
1086	P	29.6	Very low	32.5	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	76%	0.763	S	S	*	*			trans	-105.3	148.3	176.6	36.8	-30.5	0	0	0	113.7
1087	A	28.7	Very low	33.9	Very low	95 Å²	95	131 Å²	131	79%	0.785	75%	0.75	S	S	*	*			trans	70.7	150.7	158.5	0	0	0	0	0	120.2
1088	S	30.4	Very low	35	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	75%	0.751	S	S	*	*	S	Bend	trans	63.4	128.6	176.3	64.3	0	0	0	0	118.7
1089	N	29.9	Very low	35.8	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	74%	0.742	S	S	*	*			trans	40.6	96	155.1	-57.2	-9	0	0	0	119
1090	I	32	Very low	36.5	Very low	177 Å²	177	133 Å²	133	91%	0.908	74%	0.744	S	S	*	*				-162.8	140.4	127.9	-102	151.1	0	0	0	109.7
1091	S	30.4	Very low	36.9	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	74%	0.743	S	S	*	*			trans	-84.1	171.5	176.7	45.3	0	0	0	0	112.3
1092	T	34	Very low	37.6	Very low	126 Å²	126	133 Å²	133	77%	0.773	75%	0.746	S	S	*	*			trans	55.5	89.6	161.9	51.5	0	0	0	0	118.3
1093	L	36.6	Very low	38	Very low	159 Å²	159	135.7 Å²	135.7	83%	0.832	75%	0.752	S	S	*	*			trans	-145.9	160.6	135	-87.1	-167.3	0	0	0	110.1
1094	S	47.9	Very low	38.1	Very low	59 Å²	59	138.7 Å²	138.7	41%	0.413	78%	0.776	S	S	.	*			trans	-106.2	148.7	-162.6	78.9	0	0	0	0	114.9	A1096 Q1097	S1094-A1096 PolarHBondContact O-N 2.87Å; S1094-Q1097 PolarHBondContact O-N 2.98Å; S1094-Q1097 PolarHBondContact OG-OE1 2.76Å
1095	Y	39.7	Very low	38.5	Very low	185 Å²	185	140 Å²	140	73%	0.725	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-55.6	-22.2	175.5	-173.9	-108	0	0	0	113.9	Q1097 L1099	Y1095-Q1097 VanDerWaalsContact C-N 3.28Å; Y1095-Q1097 PolarHBondContact O-N 3.17Å; Y1095-L1099 HydrophobicContact CD1-CD1 4.44Å; Y1095-L1099 HydrophobicContact CE1-CD1 3.84Å
1096	A	50.9	Low	39	Very low	75 Å²	75	137.9 Å²	137.9	62%	0.62	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-69.9	-19.5	-179.6	0	0	0	0	0	114.3	S1094	S1094-A1096 PolarHBondContact O-N 2.87Å
1097	Q	57.8	Low	39.5	Very low	117 Å²	117	139.6 Å²	139.6	55%	0.547	78%	0.776	S	S	.	*	G	3₁₀ helix	trans	-88.5	-14.2	-174.9	-70.4	158.8	-77	0	0	113.6	S1094 Y1095	S1094-Q1097 PolarHBondContact O-N 2.98Å; S1094-Q1097 PolarHBondContact OG-OE1 2.76Å; Y1095-Q1097 VanDerWaalsContact C-N 3.28Å; Y1095-Q1097 PolarHBondContact O-N 3.17Å
1098	I	51.5	Low	40.1	Very low	141 Å²	141	142.2 Å²	142.2	72%	0.723	78%	0.775	S	S	*	*	S	Bend	trans	-92.1	-16.4	-173.8	-63.8	172.8	0	0	0	112.4
1099	L	47.1	Very low	40.7	Very low	123 Å²	123	144.3 Å²	144.3	64%	0.644	78%	0.776	S	S	*	*	S	Bend	trans	-98.7	21.2	-173.9	-66.7	173.2	0	0	0	114.7	Y1095	Y1095-L1099 HydrophobicContact CD1-CD1 4.44Å; Y1095-L1099 HydrophobicContact CE1-CD1 3.84Å
1100	R	42.8	Very low	41.4	Very low	228 Å²	228	143.7 Å²	143.7	86%	0.86	77%	0.773	S	S	*	*			trans	-128.3	101.6	172.3	-70.3	-177.1	176.8	-175.3	-0.6	109.8
1101	G	38.4	Very low	42.1	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	76%	0.764	S	S	*	*			trans	167.1	36.5	178.9	0	0	0	0	0	120.3
1102	K	39.7	Very low	43	Very low	209 Å²	209	145.2 Å²	145.2	91%	0.909	77%	0.773	S	S	*	*			trans	-144.7	96.4	155.2	-78.9	-154	173	-169.5	0	110.7
1103	L	37.5	Very low	43.8	Very low	177 Å²	177	146.8 Å²	146.8	93%	0.927	77%	0.773	S	S	*	*			trans	-147.4	77.2	169.7	-116	174.5	0	0	0	109
1104	T	35.4	Very low	44.4	Very low	214 Å²	214	145.6 Å²	145.6	100%	1.313	77%	0.768	S	S	*	*			trans	-149	0	163.1	52.2	0	0	0	0	105.7

Retrieved 1,104 of 1,104 residues in 213.9 ms (Link to these results)

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